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
-6.4398 3.3153 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3247 2.3551 -1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5108 1.1263 -1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1352 0.3717 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3231 -0.8482 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2057 -1.8115 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4148 -3.0390 -0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9954 -2.7467 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2341 -2.0414 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8001 -1.7494 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7464 -0.8814 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7152 -0.6411 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4269 0.0393 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 0.3360 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5829 -0.9508 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0278 -0.7147 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1885 0.1571 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6805 0.3234 2.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2474 0.9421 0.9326 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8772 2.2124 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9808 2.8729 1.0878 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4631 2.7976 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3708 2.2070 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3624 4.3571 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6131 3.1210 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4402 3.1834 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3316 2.0755 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8085 2.8622 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4927 1.4727 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4481 0.5070 -2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1669 0.0544 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1420 1.0816 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2814 -0.5238 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8065 -1.3141 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2014 -2.1498 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6656 -1.2943 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9261 -3.6536 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3789 -3.7253 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4662 -3.6961 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0267 -2.0848 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6744 -1.0416 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 -2.6176 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 -1.1853 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 -2.6805 -0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1942 0.1211 0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1961 -1.3781 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1657 -1.6074 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7734 0.0294 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8783 0.9766 -0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4909 -0.6154 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 1.0883 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3071 0.8121 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4256 -1.6607 -0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0936 -1.4021 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5862 -1.6768 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4737 -0.1854 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6786 1.1010 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7257 -0.3838 2.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8865 0.9622 2.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0933 -0.6940 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 0.4061 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1280 3.7996 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7424 1.2409 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7722 2.6864 -2.3394 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