Monomers

N-Octadecylacrylamide

Identifiers

IUPAC name
N-octadecylprop-2-enamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
CNWVYEGPPMQTKA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
   -5.9487    2.3286   -1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0794    2.8575    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0744    2.6216    1.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6910    1.3638    1.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0351    0.2560    1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6483   -0.4505   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934   -1.6855   -0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -1.2389   -0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5319   -2.3999   -1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640   -3.4001   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512   -2.8327    1.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6389   -2.2604    0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063   -1.7093    2.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909   -1.1608    1.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245   -0.0603    0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9226    0.5141    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305   -0.5746    0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2084   -0.0016   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357    1.0359   -1.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3203    1.7248   -1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910    1.3816   -0.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3352    2.7612   -2.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639    3.1432   -3.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5268    3.0057   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4386    1.3460   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9091    2.3760   -1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1861    4.0037   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1237    2.5906    0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3712    3.3144    2.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1030    3.2170    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0143    1.5604    2.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5857    0.8761    2.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6980   -0.4960    1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0263    0.6821    0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7041   -0.6782   -0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4053    0.1996   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3132   -2.2688   -1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8204   -2.3206    0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -0.7241    0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -0.5170   -1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0202   -2.8863   -2.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5620   -1.9700   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199   -4.1599   -0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -3.9851    0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6327   -3.6562    1.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447   -2.0412    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336   -1.3924    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3154   -2.9752    0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713   -0.8230    2.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -2.4651    2.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0859   -0.8312    2.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623   -2.0209    1.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491   -0.4806   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251    0.7412    1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2733    0.7918    1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9150    1.3734   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3932   -0.9420   -0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9419   -1.4107    0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198   -0.8051   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314    0.4130    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206    1.2471   -1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2758    3.2666   -2.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3201    2.6855   -2.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    3.9457   -3.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers