[3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate

C19H15NO6 — CID 15993112

IUPAC[3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate
SMILESCOc1ccccc1C(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
InChIInChI=1S/C19H15NO6/c1-11(21)25-13-8-7-12-9-15(19(23)26-17(12)10-13)20-18(22)14-5-3-4-6-16(14)24-2/h3-10H,1-2H3,(H,20,22)
InChIKeyGWTQPNOQHZGLOX-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.98
Rot. Bonds4

About [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate

[3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate (PubChem CID 15993112) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate.

Molecular Properties

Compound Name[3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate
PubChem CID15993112
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name[3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate
SMILESCOc1ccccc1C(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
InChIInChI=1S/C19H15NO6/c1-11(21)25-13-8-7-12-9-15(19(23)26-17(12)10-13)20-18(22)14-5-3-4-6-16(14)24-2/h3-10H,1-2H3,(H,20,22)
InChIKeyGWTQPNOQHZGLOX-UHFFFAOYSA-N
XLogP2.98
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyl-2-oxochromen-7-yl) acetate
CID 3905048
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
CID 19185609
ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
CID 18891724
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
[3-(2,5-dimethoxyphenyl)-2-oxochromen-7-yl] 2,6-dimethoxybenzoate
CID 4838182
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate?
The IUPAC name of [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate (CID 15993112) is [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate.
What is the SMILES notation for [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate?
The canonical SMILES for [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate is COc1ccccc1C(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O.
What is the InChIKey of [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate?
The InChIKey is GWTQPNOQHZGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-11(21)25-13-8-7-12-9-15(19(23)26-17(12)10-13)20-18(22)14-5-3-4-6-16(14)24-2/h3-10H,1-2H3,(H,20,22).
What are the key properties of [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate?
[3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate has a molecular weight of 353.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxybenzoyl)amino]-2-oxochromen-7-yl] acetate is sourced from PubChem (CID 15993112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).