Chemical ID: 6368313

Cc1cccc(c1NC(=O)c2cccc(c2)OC)C(C)C
Chemical ID:
6368313
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-3-methoxy-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2cccc(c2)OC)C(C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12(2)16-10-5-7-13(3)17(16)19-18(20)14-8-6-9-15(11-14)21-4/h5-12H,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,18,4,13,3,12,14,5,16,19,2,11,15,6,7,9,8,10,17/E:(1,2)/rA:21nCCCCCCCNCOCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s6;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.96031
Area:489.932
Solvation:-3.28798
Coulombic:-30.1225
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.33
LogP (Chemaxon):3.21

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Descriptor Annotations

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