Chemical ID: 5347927

CC(c1ccccc1)NC(=O)C(=Cc2ccc(c(c2)O)OC)C#N
Chemical ID:
5347927
Name [?]:
2-cyano-3-(3-hydroxy-4-methoxy-phenyl)-N-(1-phenylethyl)prop-2-enamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C(=Cc2ccc(c(c2)O)OC)C#N
InChi [?]:
InChI=1/C19H18N2O3/c1-13(15-6-4-3-5-7-15)21-19(23)16(12-20)10-14-8-9-18(24-2)17(22)11-14/h3-11,13,22H,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,6,5,7,4,8,15,16,13,19,23,2,14,3,12,18,17,10,24,9,20,11,21/E:(4,5)(6,7)/rA:24cCCCCCCCCNCOCCCCCCCCOOCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;s12;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.8047
Area:544.72
Solvation:-4.8133
Coulombic:-49.916
Bond Count [?]
All:25
Single:16
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:322.358
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.66
LogP (Chemaxon):3.03

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