2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate

C18H17N2O4- — CID 6949581

IUPAC2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C18H18N2O4/c1-11(2)16(21)19-13-7-5-6-12(10-13)17(22)20-15-9-4-3-8-14(15)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)/p-1
InChIKeyBIYWSLRZCGRNJO-UHFFFAOYSA-M
MW325.34 g/mol
LogP1.90
Rot. Bonds5

About 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate

2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate (PubChem CID 6949581) has the molecular formula C18H17N2O4- and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Name2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
PubChem CID6949581
Molecular FormulaC18H17N2O4-
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C18H18N2O4/c1-11(2)16(21)19-13-7-5-6-12(10-13)17(22)20-15-9-4-3-8-14(15)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)/p-1
InChIKeyBIYWSLRZCGRNJO-UHFFFAOYSA-M
XLogP1.90
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 4200241
ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
zinc bis(2-benzamidobenzoate)
CID 67586546
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2193068
2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 2305962
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
2-(3-carboxylatoanilino)benzoate
CID 36690650

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
The IUPAC name of 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate (CID 6949581) is 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate.
What is the SMILES notation for 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
The canonical SMILES for 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate is CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
The InChIKey is BIYWSLRZCGRNJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N2O4/c1-11(2)16(21)19-13-7-5-6-12(10-13)17(22)20-15-9-4-3-8-14(15)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)/p-1.
What are the key properties of 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate has a molecular weight of 325.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 6949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).