Monomers
N,N-diethyl-3-(4-methylphenyl)prop-2-enamide
Identifiers
IUPAC name
N,N-diethyl-3-(4-methylphenyl)prop-2-enamide
InchI
InChI=1S/C14H19NO/c1-4-15(5-2)14(16)11-10-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3
InchI Key
UUWUZOWQKPANJO-UHFFFAOYSA-N
SMILES
CCN(C(=O)C=Cc1ccc(cc1)C)CC
Canonical SMILES
CCN(CC)C(=O)C=CC1=CC=C(C=C1)C
Isomeric SMILES
CCN(CC)C(=O)C=CC1=CC=C(C=C1)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H19NO
Heavy Atom Count
16
Molecular Weight
217.312
Exact Molecular Weight
217.1467
Valence Electrons
86
Radical Electrons
0
tPSA
20.31
MolLogP
2.8766
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
35 35 0 0 0 0 0 0 0 0999 V2000
-4.9354 0.0442 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2531 0.8923 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 0.4837 -0.3662 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 1.0150 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 1.8777 1.2432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4494 0.5768 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6052 1.0335 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9736 0.6128 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 1.1642 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3237 0.8171 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6648 -0.1274 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6739 -0.6951 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3544 -0.3285 -0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0793 -0.5246 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -0.4988 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6908 -1.8630 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8733 -1.0277 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5697 0.2624 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0103 0.3194 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8327 0.8049 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2667 1.9381 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 -0.1694 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4173 1.7837 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7535 1.9060 2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1309 1.2421 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9611 -1.4342 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6120 -0.7975 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1519 -1.2068 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4602 -1.0440 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7168 0.3551 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7228 -0.3117 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5371 -0.4754 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5718 -1.7670 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 -2.4878 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6686 -2.3699 -0.8763 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 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
11 14 1 0
3 15 1 0
15 16 1 0
13 8 1 0
1 17 1 0
1 18 1 0
1 19 1 0
2 20 1 0
2 21 1 0
6 22 1 0
7 23 1 0
9 24 1 0
10 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
16 33 1 0
16 34 1 0
16 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers