Chemical ID: 6427416

CC(CC(C)C(=O)O)C(=O)Nc1ccccc1C(C)(C)C
Chemical ID:
6427416
Name [?]:
2,4-dimethyl-5-oxo-5-(2-tert-butylphenyl)amino-pentanoic acid
SMILES [?]:
CC(CC(C)C(=O)O)C(=O)Nc1ccccc1C(C)(C)C
InChi [?]:
InChI=1/C17H25NO3/c1-11(10-12(2)16(20)21)15(19)18-14-9-7-6-8-13(14)17(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,19,20,21,15,14,16,13,3,2,4,17,12,9,6,18,11,10,7,8/E:(3,4,5)(20,21)/rA:21cCCCCCCOOCONCCCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s2;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.57829
Area:492.329
Solvation:-2.72994
Coulombic:-48.0137
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.385
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.2
LogP (Chemaxon):3.66

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