Chemical ID: 7258750

CC(C(=O)Nc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)C(=O)C
Chemical ID:
7258750
Name [?]:
2-(4-acetylphenoxy)-N-(4-benzyloxyphenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C24H23NO4/c1-17(26)20-8-12-23(13-9-20)29-18(2)24(27)25-21-10-14-22(15-11-21)28-16-19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:29,1,17,16,18,15,19,23,25,7,11,22,26,8,10,13,27,2,14,24,6,9,21,3,5,28,4,12,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29cCCCONCCCCCCOCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s2;s20;s21;d22;s23;d24;d21s25;s24;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23NO4
All Atoms:52
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.92753
Area:649.762
Solvation:-6.31653
Coulombic:-45.1017
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.444
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):4.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue