2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate

C19H19N2O4- — CID 4200241

IUPAC2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C19H20N2O4/c1-19(2,3)18(25)20-13-8-6-7-12(11-13)16(22)21-15-10-5-4-9-14(15)17(23)24/h4-11H,1-3H3,(H,20,25)(H,21,22)(H,23,24)/p-1
InChIKeyBRLZZYQHVGZZJP-UHFFFAOYSA-M
MW339.37 g/mol
LogP2.29
Rot. Bonds4

About 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate

2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate (PubChem CID 4200241) has the molecular formula C19H19N2O4- and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Name2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
PubChem CID4200241
Molecular FormulaC19H19N2O4-
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C19H20N2O4/c1-19(2,3)18(25)20-13-8-6-7-12(11-13)16(22)21-15-10-5-4-9-14(15)17(23)24/h4-11H,1-3H3,(H,20,25)(H,21,22)(H,23,24)/p-1
InChIKeyBRLZZYQHVGZZJP-UHFFFAOYSA-M
XLogP2.29
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 2305962
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 6949581
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
zinc bis(2-benzamidobenzoate)
CID 67586546
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate?
The IUPAC name of 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate (CID 4200241) is 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate.
What is the SMILES notation for 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate?
The canonical SMILES for 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate?
The InChIKey is BRLZZYQHVGZZJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20N2O4/c1-19(2,3)18(25)20-13-8-6-7-12(11-13)16(22)21-15-10-5-4-9-14(15)17(23)24/h4-11H,1-3H3,(H,20,25)(H,21,22)(H,23,24)/p-1.
What are the key properties of 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate?
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate has a molecular weight of 339.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 4200241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).