2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid

C15H22N2O3 — CID 65291915

IUPAC2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid
SMILESCC(C)(CCN)CCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-15(2,9-10-16)8-7-13(18)17-12-6-4-3-5-11(12)14(19)20/h3-6H,7-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOJDILOMJYKUJGN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.48
Rot. Bonds7

About 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid

2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid (PubChem CID 65291915) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid
PubChem CID65291915
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid
SMILESCC(C)(CCN)CCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-15(2,9-10-16)8-7-13(18)17-12-6-4-3-5-11(12)14(19)20/h3-6H,7-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOJDILOMJYKUJGN-UHFFFAOYSA-N
XLogP2.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
CID 65292791
4-[(6-amino-4,4-dimethylhexanoyl)amino]-3-chlorobenzoic acid
CID 65291054
5-[(6-amino-4,4-dimethylhexanoyl)amino]-2-chlorobenzoic acid
CID 65290954
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-(hexacosanoylamino)benzoic acid
CID 123304158
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
6-amino-N-(2,4-dibromophenyl)-4,4-dimethylhexanamide
CID 65290987

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid?
The IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid (CID 65291915) is 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid?
The canonical SMILES for 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid is CC(C)(CCN)CCC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid?
The InChIKey is OJDILOMJYKUJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,9-10-16)8-7-13(18)17-12-6-4-3-5-11(12)14(19)20/h3-6H,7-10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid?
2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid is sourced from PubChem (CID 65291915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).