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Chemical ID: 6671236
Chemical ID:
6671236
Name [?]:
N-(1-carbamoyl-3-methyl-butyl)benzamide
SMILES [?]:
CC(C)CC(C(=O)N)NC(=O)c1ccccc1
InChi [?]:
InChI=1/C13H18N2O2/c1-9(2)8-11(12(14)16)15-13(17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,15,14,16,13,17,4,2,12,5,6,10,8,9,7,11/E:(1,2)(4,5)(6,7)/rA:17cCCCCCCONNCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.12756 |
Area: | 438.269 |
Solvation: | -2.82917 |
Coulombic: | -48.8925 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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