Chemical ID: 4905336

CCC(C)C(CC)C(=O)NC(=O)N
Chemical ID:
4905336
Name [?]:
N-carbamoyl-2-ethyl-3-methyl-pentanamide
SMILES [?]:
CCC(C)C(CC)C(=O)NC(=O)N
InChi [?]:
InChI=1/C9H18N2O2/c1-4-6(3)7(5-2)8(12)11-9(10)13/h6-7H,4-5H2,1-3H3,(H3,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,4,2,6,3,5,8,11,13,10,9,12/rA:13cCCCCCCCCONCON/rB:s1;s2;s3;s3;s5;s6;s5;d8;s8;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:5.85054
Area:364.42
Solvation:-3.25997
Coulombic:-46.0311
Bond Count [?]
All:12
Single:10
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:186.251
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):1.4

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