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Chemical ID: 4338637
Chemical ID:
4338637
Name [?]:
N-isobutyl-3-(2-methylpropanoylamino)benzamide
SMILES [?]:
CC(C)CNC(=O)c1cccc(c1)NC(=O)C(C)C
InChi [?]:
InChI=1/C15H22N2O2/c1-10(2)9-16-15(19)12-6-5-7-13(8-12)17-14(18)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,10,9,11,13,4,2,17,8,12,15,6,5,14,16,7/E:(1,2)(3,4)/rA:19nCCCCNCOCCCCCCNCOCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40064 |
Area: | 488.557 |
Solvation: | -2.8133 |
Coulombic: | -42.7431 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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