Chemical ID: 7500179

CC(C)c1ccc(cc1)OC(C)C(=O)Nc2cccc(c2)C(=O)C
Chemical ID:
7500179
Name [?]:
N-(3-acetylphenyl)-2-(4-isopropylphenoxy)-propanamide
SMILES [?]:
CC(C)c1ccc(cc1)OC(C)C(=O)Nc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C20H23NO3/c1-13(2)16-8-10-19(11-9-16)24-15(4)20(23)21-18-7-5-6-17(12-18)14(3)22/h5-13,15H,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,12,18,19,17,5,9,6,8,21,2,22,11,4,20,16,7,13,15,23,14,10/E:(1,2)(8,9)(10,11)/rA:24cCCCCCCCCCOCCCONCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO3
All Atoms:47
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.01048
Area:561.147
Solvation:-5.01821
Coulombic:-37.0369
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.402
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.45
LogP (Chemaxon):3.92

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