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
-2.6024 1.8599 1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6640 0.3679 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8455 -0.3748 -0.0257 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7953 -0.8010 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1598 -1.5590 -1.8767 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3938 -0.5772 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3761 0.1099 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 0.1773 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5933 0.9360 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9581 1.0296 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 0.3822 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8893 -0.3765 -1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5137 -0.4645 -1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1070 0.4728 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2436 -0.6749 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7392 -1.9513 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0753 2.0745 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9900 2.2585 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6140 2.3185 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5934 0.1165 1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8020 -0.0159 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1735 -1.1016 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0133 0.6815 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0657 1.4605 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5295 1.6371 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3806 -0.8996 -2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0248 -1.0800 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4466 1.4103 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5970 -0.4345 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3358 0.4862 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2639 -0.6794 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8583 0.1654 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4772 -2.4403 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3197 -1.8061 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9836 -2.7080 0.4009 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