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
-2.4728 2.1003 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6560 1.2604 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8393 -0.0891 0.0643 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8502 -1.0298 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2784 -2.2585 -0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4201 -0.9515 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3729 0.0590 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8244 -0.0713 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6094 1.0460 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9921 0.9895 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6529 -0.1925 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -1.3081 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 -1.2494 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1343 -0.2604 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2635 -0.4861 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8234 -1.0130 1.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2657 2.8684 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5035 2.6099 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6193 1.4746 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8822 1.5018 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6069 1.6420 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1133 -1.9179 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0022 1.0694 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1063 1.9958 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5408 1.8944 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3592 -2.2645 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 -2.1784 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4878 -0.7979 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5296 0.7677 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4796 -0.7994 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3113 -1.3107 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8496 0.3683 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0217 -1.4881 1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6211 -1.7669 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2562 -0.2140 1.7867 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