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
-8.5029 -4.3987 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0087 -4.0850 1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4846 -4.1749 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0082 -3.8716 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6968 -2.4689 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4295 -1.4218 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1089 -0.0638 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6415 0.2123 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3996 1.6047 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9512 2.0298 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9995 1.1612 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4021 1.6868 0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 1.7375 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2194 2.2380 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2934 1.4040 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6316 2.0213 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7892 1.2313 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0837 1.9224 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2348 1.2118 0.1057 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5052 1.8156 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5521 2.9105 -0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7494 1.1868 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9053 1.8104 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0582 -4.0889 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8954 -3.8850 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6571 -5.4818 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5693 -4.9397 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8612 -3.1168 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1037 -3.5448 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6247 -5.2209 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6879 -4.0246 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4766 -4.5733 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8768 -2.4383 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6070 -2.3427 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1172 -1.4423 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5303 -1.6078 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3536 -0.0408 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7370 0.7393 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1072 -0.4798 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 0.0947 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9985 2.2872 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8084 1.6636 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 2.0824 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8938 3.0576 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2432 1.0876 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9758 0.1109 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4848 2.6848 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0556 0.9398 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6914 0.7461 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 2.4532 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3135 3.2860 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3505 2.2813 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2626 0.3694 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1505 1.4620 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6685 3.0773 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7643 2.0085 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7568 0.1759 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6806 1.2651 1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0264 2.9372 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2012 1.9947 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1565 0.3303 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8149 0.2756 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8380 1.3861 0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8675 2.7312 -0.6376 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