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Chemical ID: 5876685
Chemical ID:
5876685
Name [?]:
N-[1-(benzylcarbamoyl)-2-phenyl-ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(Cc1ccccc1)C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C20H24N2O2/c1-2-9-19(23)22-18(14-16-10-5-3-6-11-16)20(24)21-15-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,12,22,11,13,21,23,3,10,14,20,24,8,18,9,19,7,4,15,17,6,5,16/E:(5,6)(7,8)(10,11)(12,13)/rA:24cCCCCONCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s7;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.829 |
Area: | 553.829 |
Solvation: | -3.01674 |
Coulombic: | -44.6988 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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