Chemical ID: 6671236

CC(C)CC(C(=O)N)NC(=O)c1ccccc1
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue