Chemical ID: 6948575

CCC(C)c1ccccc1NC(=O)c2cccc(c2)OC
Chemical ID:
6948575
Name [?]:
3-methoxy-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C18H21NO2/c1-4-13(2)16-10-5-6-11-17(16)19-18(20)14-8-7-9-15(12-14)21-3/h5-13H,4H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,7,8,16,15,17,6,9,19,3,14,18,5,10,12,11,13,20/rA:21cCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:42
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.40737
Area:501.424
Solvation:-3.12824
Coulombic:-30.8101
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.67
LogP (Chemaxon):3.79

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