Chemical ID: 4449735

CCC(C)c1ccccc1NC(=O)COc2cccc(c2)C
Chemical ID:
4449735
Name [?]:
2-(3-methylphenoxy)-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2cccc(c2)C
InChi [?]:
InChI=1/C19H23NO2/c1-4-15(3)17-10-5-6-11-18(17)20-19(21)13-22-16-9-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,2,7,8,18,19,17,6,9,21,14,20,3,16,5,10,12,11,13,15/rA:22cCCCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.38402
Area:531.738
Solvation:-3.90942
Coulombic:-30.2069
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):4.28

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