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
-4.6684 -0.9880 -2.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9078 -2.4344 -2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9290 -3.0081 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9627 -2.4636 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8998 -1.0379 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6363 -0.6857 1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6764 0.7713 1.6341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4847 1.2543 2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 1.0401 1.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0087 1.5478 2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2933 1.3161 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3956 1.8314 2.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7848 1.7214 2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2492 2.4051 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6607 2.1169 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7296 0.6892 -0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1152 0.1219 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 0.8229 -1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2955 0.1871 -1.9947 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5541 -1.1605 -2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5833 -1.8812 -2.6781 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8875 -1.7342 -2.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0871 -2.9872 -2.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1021 -0.5160 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6420 -0.4721 -2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0974 -0.8556 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9138 -2.6722 -2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1659 -2.9962 -2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9086 -3.0423 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1774 -4.1111 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9755 -2.6293 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0124 -3.0611 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7346 -0.8862 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1368 -0.2962 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6625 -1.2129 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7634 -1.0491 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5712 0.9407 2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8304 1.4154 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4194 0.8279 3.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6239 2.3604 2.5493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 1.6305 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 -0.0168 1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1548 2.6294 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9593 1.0698 3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.7869 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3621 0.2079 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2931 1.2662 3.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1765 2.9024 2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0763 0.6242 2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4294 2.1274 2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3794 2.3965 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0614 3.5233 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3371 2.6664 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 2.5495 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2719 0.6341 -1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1373 0.0027 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9917 -0.9287 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5687 0.0473 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5937 0.7642 -3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1205 1.9013 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1385 0.7772 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7136 -1.1193 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0665 -3.4457 -2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2738 -3.6587 -2.9527 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