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
-4.8128 0.5277 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2195 0.8501 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8215 0.3305 0.6253 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8105 1.2006 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2317 2.4215 -0.1537 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3965 1.0427 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3720 0.0308 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8294 0.0501 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 1.1702 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8716 1.1937 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6014 0.0614 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9401 -1.0731 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5812 -1.0864 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0700 0.0913 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6184 -0.9628 1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5365 -2.0137 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0596 0.0185 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1312 1.4533 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6964 -0.1276 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2148 1.9435 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7889 0.3974 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1333 1.9726 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 -0.9263 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9513 2.0816 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3424 2.1069 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -1.9744 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0750 -1.9652 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3497 -0.2728 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4114 1.1347 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5441 -0.5820 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5227 -1.2385 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7660 -0.9742 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0276 -1.5951 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8742 -2.8669 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5256 -2.4200 -0.1845 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