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
-7.9061 -1.8780 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7613 -0.5338 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2492 0.4885 1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0839 1.8353 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2308 2.0671 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7833 1.7547 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3860 0.3453 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8718 0.1567 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2446 0.6155 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7548 0.3868 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1279 1.1378 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3727 0.9452 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8021 -0.4701 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 -0.6307 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9414 -0.1501 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4566 -0.3166 -1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8402 -1.7642 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3458 -1.8730 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9532 -1.1241 0.2112 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6687 -1.3701 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8360 -2.3001 1.8551 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2975 -0.5964 2.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1622 0.3731 2.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9438 -2.1460 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7713 -1.9361 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0483 -2.6284 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7526 -0.1664 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1006 -0.6228 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4958 0.1542 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1765 0.6105 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1162 2.2363 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7216 2.5105 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3673 3.1793 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6358 1.5792 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3473 2.3839 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3290 2.2343 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8414 -0.1510 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7260 -0.2214 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 -0.8481 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5197 0.8420 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6207 0.0379 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3997 1.6966 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2853 0.6181 -2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5285 -0.7113 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 2.2130 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5290 0.7421 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7333 1.5306 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8487 1.3691 -1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4028 -0.8550 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 -1.1316 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5058 -1.6965 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6264 -0.0486 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7819 0.9669 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5033 -0.5735 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8852 0.3390 -0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8320 0.0043 -2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4991 -2.3207 -1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4352 -2.2407 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7201 -1.5107 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6528 -2.9435 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6299 -0.3696 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0352 -0.8365 3.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5940 0.9113 3.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4987 0.7009 1.4530 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