Chemical ID: 7269308

CCCCc1ccc(cc1)NC(=O)CNc2ccc(cc2)C#N
Chemical ID:
7269308
Name [?]:
N-(4-butylphenyl)-2-(4-cyanophenyl)amino-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)CNc2ccc(cc2)C#N
InChi [?]:
InChI=1/C19H21N3O/c1-2-3-4-15-5-11-18(12-6-15)22-19(23)14-21-17-9-7-16(13-20)8-10-17/h5-12,21H,2-4,14H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,18,20,17,21,7,9,22,14,5,19,16,8,12,23,15,11,13/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCCCCCCNCOCNCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O
All Atoms:44
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2814
Area:569.677
Solvation:-2.96053
Coulombic:-37.4122
Bond Count [?]
All:24
Single:16
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.39
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.17
LogP (Chemaxon):4.17

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Descriptor Annotations

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