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
-1.9223 -1.9509 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0485 -0.4771 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1958 0.2304 0.1848 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1628 0.7061 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5401 1.3920 2.0451 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2503 0.5979 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9951 -0.0055 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4406 -0.0209 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 0.6189 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5399 0.5925 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2515 -0.0707 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5365 -0.7222 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1588 -0.6930 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6089 0.4306 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1817 1.6980 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -2.1405 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 -2.4795 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2893 -2.4181 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3501 -0.0364 -1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0488 -0.4184 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 1.1307 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5407 -0.5503 -0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7245 1.1772 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1021 1.1001 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3427 -0.0926 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1113 -1.2361 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6518 -1.2181 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1692 -0.4676 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5933 0.4576 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0457 2.5341 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8264 1.9529 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2910 1.5581 -0.0325 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