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
6.2985 0.8478 2.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0069 -0.3351 1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5426 0.0493 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4391 0.5007 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4539 -0.6100 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3560 -0.1204 -1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3994 -1.2726 -1.9199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.8844 -2.8486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5452 0.3006 -2.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9767 -0.0093 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0253 -1.1546 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -1.4585 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2921 -0.2568 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4123 0.1364 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1852 1.3351 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8066 1.1424 1.8068 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7632 0.0178 1.8284 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8967 0.2653 0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0562 1.3428 0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8861 -0.7521 0.6635 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9949 -0.4905 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8257 0.6438 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9897 1.7221 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6149 1.7793 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5673 0.9669 3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2124 0.7845 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8712 -0.5925 2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3631 -1.2194 1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2858 0.8841 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0278 -0.8276 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9555 1.4199 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8869 0.8035 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9032 -1.5233 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9942 -0.8699 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7660 0.1347 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8834 0.7740 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0069 -2.1169 -2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0437 -1.6108 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -0.5677 -3.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6336 -1.7465 -3.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6561 0.5343 -2.9585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1760 1.2021 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 0.9274 -0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7504 -0.2422 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7508 -0.9383 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5352 -2.0859 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 -2.2892 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 -1.7858 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7018 -0.5760 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5924 0.5641 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0292 0.4303 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0946 -0.7169 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9427 1.5697 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5343 2.2391 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4177 2.0787 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0810 1.1374 2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2188 -0.1494 2.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2596 -0.9072 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7452 -1.6578 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5416 -0.2823 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6190 -1.4113 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3012 0.5762 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5867 2.5745 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5068 1.7763 -1.4798 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