Chemical ID: 7299849

CCC(C)c1ccccc1NC(=O)COc2ccccc2C#N
Chemical ID:
7299849
Name [?]:
2-(2-cyanophenoxy)-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C19H20N2O2/c1-3-14(2)16-9-5-6-10-17(16)21-19(22)13-23-18-11-7-4-8-15(18)12-20/h4-11,14H,3,13H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,7,8,18,20,6,9,17,22,14,3,21,5,10,16,12,23,11,13,15/rA:23cCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2
All Atoms:43
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.01291
Area:547.983
Solvation:-4.68666
Coulombic:-33.0
Bond Count [?]
All:24
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:308.374
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):3.63

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