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

C17H13NO5 — CID 6461322

IUPACN-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1
InChIInChI=1S/C17H13NO5/c1-22-13-5-6-15-10(7-13)8-14(17(21)23-15)16(20)18-11-3-2-4-12(19)9-11/h2-9,19H,1H3,(H,18,20)
InChIKeyOUJLIIYZTCMIGQ-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.76
Rot. Bonds3

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

N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 6461322) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID6461322
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC NameN-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1
InChIInChI=1S/C17H13NO5/c1-22-13-5-6-15-10(7-13)8-14(17(21)23-15)16(20)18-11-3-2-4-12(19)9-11/h2-9,19H,1H3,(H,18,20)
InChIKeyOUJLIIYZTCMIGQ-UHFFFAOYSA-N
XLogP2.76
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide (CID 6461322) is N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1.
What is the InChIKey of N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is OUJLIIYZTCMIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-22-13-5-6-15-10(7-13)8-14(17(21)23-15)16(20)18-11-3-2-4-12(19)9-11/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 6461322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).