Chemical ID: 5544832

CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C#N
Chemical ID:
5544832
Name [?]:
N-(2-cyanophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C19H20N2O2/c1-3-14(2)15-8-10-17(11-9-15)23-13-19(22)21-18-7-5-4-6-16(18)12-20/h4-11,14H,3,13H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,17,6,10,7,9,22,12,3,5,21,8,16,13,23,15,14,11/E:(8,9)(10,11)/rA:23cCCCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.8113
Area:550.362
Solvation:-3.94775
Coulombic:-33.6123
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:4.8
LogP (Chemaxon):4.28

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Descriptor Annotations

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