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
7.4105 -3.4366 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6209 -2.1495 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9903 -1.2690 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2783 0.0418 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7596 -0.1182 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3117 -0.8271 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8843 -1.0837 -1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8457 -0.0666 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.8399 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3886 1.7266 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 2.6845 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0424 3.5916 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 3.1125 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1858 2.3005 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 0.9677 1.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5547 0.2124 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9068 0.0170 1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8001 -0.7599 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0707 -1.0094 -0.4936 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1226 -1.7500 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8850 -2.1907 1.3016 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3916 -1.9930 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7080 -1.5747 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9500 -4.0185 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4432 -3.2004 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3846 -4.0301 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9436 -1.6692 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -2.3908 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0753 -1.0543 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8636 -1.8518 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6286 0.6591 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4960 0.5540 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4217 0.9595 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3450 -0.5081 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8548 -1.8355 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 -0.3670 -2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7039 -1.7259 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6525 -1.8975 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 0.5241 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8536 -0.6239 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 0.3163 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3442 1.5136 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6185 2.2422 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4684 1.0488 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2002 2.2234 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0185 3.3925 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1444 4.3466 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7258 4.2787 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9782 4.0450 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3182 2.5768 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1933 2.1484 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4984 2.8622 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6381 1.0706 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4685 0.3153 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6108 0.8536 2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0975 -0.7326 2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5969 -0.5033 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4384 0.9955 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2056 -1.6706 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2216 -0.1114 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2400 -0.6319 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1309 -2.5675 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0226 -1.0026 -2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6747 -1.7992 -2.1390 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