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
-8.0409 2.6227 -0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9995 3.5794 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8360 2.7578 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3209 1.9331 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1237 1.0673 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6779 0.2969 -1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5919 -0.6737 -1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2169 -0.3246 -1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8979 0.2565 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2768 -0.5129 1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8413 -1.8729 1.5613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5773 -2.2502 1.7287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4344 -2.0956 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8831 -2.5603 0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5470 -1.7907 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9451 -2.3332 2.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7912 -2.2175 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9886 -0.8183 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5770 0.1652 1.0608 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7092 -0.6103 -0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9144 0.7720 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5813 1.4497 -1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2741 2.5167 -0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0087 1.6810 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8597 2.3517 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0339 3.1226 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3938 4.2860 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6736 4.2186 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0324 3.5012 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1029 2.1952 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0684 1.3095 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8770 2.6134 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 1.8052 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5530 0.4637 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5607 1.0318 -2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6008 -0.2927 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 -1.1760 -2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9557 -1.5855 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5341 -1.2305 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7473 0.3930 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1868 0.5427 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 1.2849 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 0.1225 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4177 -0.3959 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2476 -2.6198 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4440 -2.2120 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -1.7660 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 -3.3715 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4946 -1.1192 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0995 -2.8530 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 -3.6406 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4035 -2.3074 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5957 -0.7421 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9928 -1.8828 2.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8518 -3.4295 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4547 -1.8367 2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3542 -2.7844 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7888 -2.7188 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0754 -1.3977 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5096 1.3431 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4813 0.7768 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9104 1.0454 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9515 2.9261 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3204 2.9904 -0.8678 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