Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=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
6.2931 2.1666 2.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7784 0.8191 1.7007 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9000 0.4376 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7539 0.2796 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8096 1.3068 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9239 2.0086 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9980 1.3310 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9120 0.4834 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3246 -0.7253 -0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1115 -1.5031 -0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2643 -1.9272 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9157 -2.7393 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7630 -1.9279 -1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9013 -2.8236 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8203 -2.1246 -2.6229 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4565 -0.8915 -2.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2745 -1.2358 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8635 0.0097 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6286 1.0972 -0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6925 0.0277 0.9046 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2717 1.2456 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2724 2.2444 1.8334 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2154 3.4593 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4555 2.9034 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2677 2.2276 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9528 2.6051 2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1106 0.0850 2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7930 0.6114 2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6392 1.1611 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5380 -0.5399 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 -0.6355 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1756 -0.1881 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2728 1.0137 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4746 2.2129 -1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1608 2.5530 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3360 2.9793 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5183 2.1650 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5546 0.7314 1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1673 1.0862 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 0.1668 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 -0.6087 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 -1.4144 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5125 -0.7630 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4187 -2.3597 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1545 -1.0459 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8044 -2.5571 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5733 -3.0375 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4968 -3.6153 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2030 -1.6042 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0986 -1.0276 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4392 -3.1801 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4384 -3.6698 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2349 -1.8574 -3.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5824 -2.8541 -2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7207 -0.1419 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0760 -0.4366 -2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6552 -1.6927 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0801 -1.9798 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8578 -0.9218 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9624 1.7221 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9334 0.9448 2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5461 1.9890 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4872 4.1976 1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9281 3.7574 0.5238 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 2 0
18 20 1 0
20 21 1 0
21 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
20 59 1 0
21 60 1 0
21 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