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
-4.3303 0.0816 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6107 0.6421 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 0.1611 -0.1167 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 0.9487 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7480 2.0164 1.1908 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1424 0.8312 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9817 -0.0244 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4289 0.0565 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2144 -0.9444 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5677 -0.9364 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1827 0.0146 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4084 0.9821 1.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0250 1.0155 1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9939 -1.0782 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5746 -0.8256 -2.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7209 0.1653 1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5107 -0.9986 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2956 0.6279 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6056 1.7543 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0436 0.3346 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6387 1.6217 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6361 -0.8168 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7372 -1.7210 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1284 -1.7424 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2397 -0.0156 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8282 1.7778 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4410 1.7901 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9723 -1.6837 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3082 -1.7185 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1870 0.2085 -2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4144 -0.9740 -2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7931 -1.5502 -2.4658 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