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Chemical ID: 4585678
Chemical ID:
4585678
Name [?]:
N-benzyl-3-phenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C16H15NO/c18-16(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-12H,13H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,1,15,17,2,6,14,18,3,5,12,11,7,13,4,9,8,10/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80406 |
Area: | 440.547 |
Solvation: | -2.20962 |
Coulombic: | -24.5999 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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