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Chemical ID: 7269308
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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