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
-7.9663 0.2396 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7543 -1.2631 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5820 -1.4944 -2.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3389 -0.8558 -1.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0494 -1.4716 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8056 -0.8238 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 -1.0516 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3685 -0.4594 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5351 0.9946 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 1.7671 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 1.4619 2.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 0.1466 2.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7007 -0.5027 1.9076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0402 0.1373 1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 1.4451 1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6025 1.9617 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5724 1.0550 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2218 0.8341 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1634 -0.0358 -1.6589 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3599 -1.3648 -1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6751 -1.7691 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2968 -2.2596 -1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9966 -1.8655 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2635 0.6517 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8760 0.7669 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0001 0.3554 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6519 -1.7164 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6861 -1.7286 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7448 -1.0732 -3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3846 -2.5959 -2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5345 0.2246 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4744 -1.0496 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9180 -2.5508 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8607 -1.2797 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0549 0.2718 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6306 -1.1696 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7759 -0.4285 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4976 -2.1114 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2013 -1.0234 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5193 -0.6879 -0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4403 1.1862 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8775 1.4978 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 2.8776 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 1.7905 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9104 1.5540 2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 2.3293 2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -0.5537 2.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0828 0.3621 3.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8531 -1.5126 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3861 -0.8774 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4238 0.1528 2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7431 -0.5697 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5957 2.2141 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8246 1.4264 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5905 2.9259 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9768 2.1487 2.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8067 0.1443 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5454 1.6333 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1779 0.4659 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2659 1.8244 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6938 0.3723 -2.4896 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4302 -3.2893 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9353 -0.8867 -3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6862 -2.5495 -3.3843 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