Chemical ID: 7344427

CC(=O)CC(c1ccccc1)NC(=O)Cc2ccc(c(c2)OC)OC
Chemical ID:
7344427
Name [?]:
2-(3,4-dimethoxyphenyl)-N-(3-oxo-1-phenyl-butyl)-acetamide
SMILES [?]:
CC(=O)CC(c1ccccc1)NC(=O)Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H23NO4/c1-14(22)11-17(16-7-5-4-6-8-16)21-20(23)13-15-9-10-18(24-2)19(12-15)25-3/h4-10,12,17H,11,13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,9,8,10,7,11,17,18,4,21,15,2,16,6,5,19,20,13,12,3,14,24,22/E:(5,6)(7,8)/rA:25cCCOCCCCCCCCNCOCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:48
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.06814
Area:571.567
Solvation:-7.22104
Coulombic:-41.4899
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.42
LogP (Chemaxon):2.67

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Descriptor Annotations

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