2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid

C18H19NO3 — CID 84820712

IUPAC2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid
SMILESCC(C)(C)C(=O)Nc1c(C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C18H19NO3/c1-18(2,3)17(22)19-15-13(12-8-5-4-6-9-12)10-7-11-14(15)16(20)21/h4-11H,1-3H3,(H,19,22)(H,20,21)
InChIKeyAWWCSEWSPKXERY-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.04
Rot. Bonds3

About 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid

2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid (PubChem CID 84820712) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid
PubChem CID84820712
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid
SMILESCC(C)(C)C(=O)Nc1c(C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C18H19NO3/c1-18(2,3)17(22)19-15-13(12-8-5-4-6-9-12)10-7-11-14(15)16(20)21/h4-11H,1-3H3,(H,19,22)(H,20,21)
InChIKeyAWWCSEWSPKXERY-UHFFFAOYSA-N
XLogP4.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-2-(trifluoromethylamino)benzoic acid
CID 23457266
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
CID 43358371
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(2-phenylphenyl)propanamide
CID 10590975
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
3-(2-hydroxyphenyl)-2-(propanoylamino)benzoic acid
CID 66603611
2-(ethylamino)-N-methyl-3-phenylbenzamide
CID 68748866
2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
CID 10755808

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid (CID 84820712) is 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid is CC(C)(C)C(=O)Nc1c(C(=O)O)cccc1-c1ccccc1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid?
The InChIKey is AWWCSEWSPKXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,3)17(22)19-15-13(12-8-5-4-6-9-12)10-7-11-14(15)16(20)21/h4-11H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid?
2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid has a molecular weight of 297.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid is sourced from PubChem (CID 84820712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).