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

C19H17NO5 — CID 5262259

IUPAC7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-14-6-3-12(4-7-14)11-20-18(21)16-9-13-5-8-15(24-2)10-17(13)25-19(16)22/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMBFOTLQWZKWAJU-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.74
Rot. Bonds5

About 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide

7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 5262259) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID5262259
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-14-6-3-12(4-7-14)11-20-18(21)16-9-13-5-8-15(24-2)10-17(13)25-19(16)22/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyMBFOTLQWZKWAJU-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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Related Compounds

[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 3-methoxybenzoate
CID 19185467
N-[(4-methoxyphenyl)methyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794114
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 19185499
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate
CID 19185477
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide (CID 5262259) is 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide is COc1ccc(CNC(=O)c2cc3ccc(OC)cc3oc2=O)cc1.
What is the InChIKey of 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is MBFOTLQWZKWAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-14-6-3-12(4-7-14)11-20-18(21)16-9-13-5-8-15(24-2)10-17(13)25-19(16)22/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
7-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 7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).