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

C18H15NO4 — CID 9208576

IUPACN-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C18H15NO4/c1-22-15-8-4-2-6-12(15)10-19-18(21)14-11-23-16-9-5-3-7-13(16)17(14)20/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyDSQFWEWQRQSBNJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.73
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide (PubChem CID 9208576) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
PubChem CID9208576
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C18H15NO4/c1-22-15-8-4-2-6-12(15)10-19-18(21)14-11-23-16-9-5-3-7-13(16)17(14)20/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyDSQFWEWQRQSBNJ-UHFFFAOYSA-N
XLogP2.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide
CID 8833270
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide (CID 9208576) is N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide is COc1ccccc1CNC(=O)c1coc2ccccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide?
The InChIKey is DSQFWEWQRQSBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-15-8-4-2-6-12(15)10-19-18(21)14-11-23-16-9-5-3-7-13(16)17(14)20/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 9208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).