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
-6.5161 2.4493 -1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3325 1.7518 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9968 0.4751 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8859 -0.3021 -1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0477 -0.9377 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3696 -0.1498 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3283 -1.0692 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0450 -1.6922 2.7733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9802 -0.8082 3.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3750 0.2625 2.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6808 -0.0774 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4391 -1.0480 1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1849 -1.4367 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 -0.2970 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8267 0.4572 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9746 -0.3344 0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8234 -0.9756 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4580 -0.0136 -1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3236 1.2237 -1.0612 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2826 -0.5569 -2.1557 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9080 0.3618 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7917 1.2794 -2.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5881 2.5913 -2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1601 2.8118 -2.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2895 1.6689 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8467 3.3223 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4879 2.4854 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4787 1.7443 -0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8534 0.6620 -2.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9222 -0.2015 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5621 -1.1043 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9184 0.3391 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1557 -1.6164 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8745 -1.7489 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8702 0.7946 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4938 0.1340 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7095 -0.5181 3.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1169 -1.8856 2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6793 -2.3661 1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3296 -2.4518 3.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1340 -1.4944 3.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2840 -0.3147 4.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4853 0.6345 3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9523 1.2326 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1174 0.8790 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 -0.3156 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0754 -0.5474 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0563 -1.9752 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8933 -2.2435 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4502 -1.9038 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0189 0.4162 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2375 -0.6830 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2959 0.8876 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1653 1.3274 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6439 0.3799 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7084 -1.1044 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6667 -1.5287 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3025 -1.7229 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4303 -1.5701 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1028 0.9605 -3.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4464 -0.1817 -3.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5929 0.8332 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2414 3.2251 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7962 3.0300 -2.8764 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