N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide

C19H15NO5 — CID 2262388

IUPACN-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3cccc(C(C)=O)c3)cc2c1
InChIInChI=1S/C19H15NO5/c1-11(21)12-4-3-5-14(8-12)20-18(22)16-10-13-9-15(24-2)6-7-17(13)25-19(16)23/h3-10H,1-2H3,(H,20,22)
InChIKeyHPADGYGMCBQWDN-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.26
Rot. Bonds4

About N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide

N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 2262388) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID2262388
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC NameN-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3cccc(C(C)=O)c3)cc2c1
InChIInChI=1S/C19H15NO5/c1-11(21)12-4-3-5-14(8-12)20-18(22)16-10-13-9-15(24-2)6-7-17(13)25-19(16)23/h3-10H,1-2H3,(H,20,22)
InChIKeyHPADGYGMCBQWDN-UHFFFAOYSA-N
XLogP3.26
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide (CID 2262388) is N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3cccc(C(C)=O)c3)cc2c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is HPADGYGMCBQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-11(21)12-4-3-5-14(8-12)20-18(22)16-10-13-9-15(24-2)6-7-17(13)25-19(16)23/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2262388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).