8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide

C19H17NO5 — CID 709853

IUPAC8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-14-8-6-12(7-9-14)11-20-18(21)15-10-13-4-3-5-16(24-2)17(13)25-19(15)22/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDIYLLPPXPJCVLY-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.74
Rot. Bonds5

About 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide

8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 709853) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID709853
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-14-8-6-12(7-9-14)11-20-18(21)15-10-13-4-3-5-16(24-2)17(13)25-19(15)22/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDIYLLPPXPJCVLY-UHFFFAOYSA-N
XLogP2.74
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.74
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 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide (CID 709853) is 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide is COc1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)cc1.
What is the InChIKey of 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is DIYLLPPXPJCVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-14-8-6-12(7-9-14)11-20-18(21)15-10-13-4-3-5-16(24-2)17(13)25-19(15)22/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 709853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).