Monomers
Cinnamamide, N,N-diethyl-
Identifiers
IUPAC name
N,N-diethyl-3-phenylprop-2-enamide
InchI
InChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InchI Key
GUYVMSJRMMFSQO-UHFFFAOYSA-N
SMILES
CCN(C(=O)C=Cc1ccccc1)CC
Canonical SMILES
CCN(CC)C(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCN(CC)C(=O)C=CC1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H17NO
Heavy Atom Count
15
Molecular Weight
203.285
Exact Molecular Weight
203.131
Valence Electrons
80
Radical Electrons
0
tPSA
20.31
MolLogP
2.5682
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
32 32 0 0 0 0 0 0 0 0999 V2000
-2.3384 1.5252 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 0.2472 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0317 -0.9272 -0.1918 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8757 -1.4869 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 -2.6441 1.0093 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4777 -1.0719 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9843 0.0210 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 0.3933 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8028 1.5836 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1447 1.9555 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0529 1.1394 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6210 -0.0288 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -0.4425 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -1.6732 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8612 -1.0826 1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8389 1.4590 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 2.4041 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4206 1.6936 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3979 0.3995 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1193 0.1099 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1918 -1.7455 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3756 0.7651 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1226 2.2610 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4282 2.8871 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1021 1.4225 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3065 -0.6975 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0479 -1.3842 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0780 -2.7512 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9991 -1.5422 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3923 -1.8960 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5646 -0.2759 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0754 -0.6171 1.9644 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
3 14 1 0
14 15 1 0
13 8 1 0
1 16 1 0
1 17 1 0
1 18 1 0
2 19 1 0
2 20 1 0
6 21 1 0
7 22 1 0
9 23 1 0
10 24 1 0
11 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
15 30 1 0
15 31 1 0
15 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers