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
-3.0767 1.0482 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0401 0.1695 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4264 0.8943 1.3355 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0479 0.8627 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 1.4843 2.4954 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1909 0.0908 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1108 0.0660 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9871 -0.6754 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5212 -1.3818 -1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4081 -2.0887 -1.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7662 -2.1061 -1.7151 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1974 -1.3782 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 -0.6801 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7187 -2.8514 -2.5789 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2453 1.6776 2.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4233 3.0965 1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9543 0.3898 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2365 1.7493 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0449 1.5939 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 -0.0713 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5743 -0.8010 0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6696 -0.4178 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5365 0.6086 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4588 -1.4319 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0301 -2.6533 -2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2799 -1.3728 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7465 -0.1122 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3002 -2.1078 -3.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4288 -3.4009 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1674 -3.5142 -3.2463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 1.7310 3.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2207 1.1828 2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2061 3.8421 2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5027 3.2164 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8116 3.3413 0.8809 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