methyl 4-[(2-acetyloxybenzoyl)amino]benzoate

C17H15NO5 — CID 3365464

IUPACmethyl 4-[(2-acetyloxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C17H15NO5/c1-11(19)23-15-6-4-3-5-14(15)16(20)18-13-9-7-12(8-10-13)17(21)22-2/h3-10H,1-2H3,(H,18,20)
InChIKeyGPPYVEJHTZOVEE-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.65
Rot. Bonds4

About methyl 4-[(2-acetyloxybenzoyl)amino]benzoate

methyl 4-[(2-acetyloxybenzoyl)amino]benzoate (PubChem CID 3365464) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 4-[(2-acetyloxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-acetyloxybenzoyl)amino]benzoate
PubChem CID3365464
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namemethyl 4-[(2-acetyloxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C17H15NO5/c1-11(19)23-15-6-4-3-5-14(15)16(20)18-13-9-7-12(8-10-13)17(21)22-2/h3-10H,1-2H3,(H,18,20)
InChIKeyGPPYVEJHTZOVEE-UHFFFAOYSA-N
XLogP2.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Benorylate
CID 21102
Otilonium Bromide
CID 72092
Ethopabate
CID 6034
Acetaminosalol
CID 1984
Otilonium
CID 72093
Ethyl 4-(benzoylamino)benzoate
CID 12914
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
Methyl 4-(acetylamino)-2-methoxybenzoate
CID 77720
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
Anilamate
CID 21798

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-acetyloxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-acetyloxybenzoyl)amino]benzoate (CID 3365464) is methyl 4-[(2-acetyloxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-acetyloxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-acetyloxybenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2OC(C)=O)cc1.
What is the InChIKey of methyl 4-[(2-acetyloxybenzoyl)amino]benzoate?
The InChIKey is GPPYVEJHTZOVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-11(19)23-15-6-4-3-5-14(15)16(20)18-13-9-7-12(8-10-13)17(21)22-2/h3-10H,1-2H3,(H,18,20).
What are the key properties of methyl 4-[(2-acetyloxybenzoyl)amino]benzoate?
methyl 4-[(2-acetyloxybenzoyl)amino]benzoate has a molecular weight of 313.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-acetyloxybenzoyl)amino]benzoate is sourced from PubChem (CID 3365464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).