2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C19H17NO4 — CID 6469722

IUPAC2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H17NO4/c1-12-9-19(22)24-17-11-14(7-8-15(12)17)20-18(21)10-13-5-3-4-6-16(13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyFWALIHPRBVBWCJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 6469722) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID6469722
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H17NO4/c1-12-9-19(22)24-17-11-14(7-8-15(12)17)20-18(21)10-13-5-3-4-6-16(13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyFWALIHPRBVBWCJ-UHFFFAOYSA-N
XLogP3.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 6469722) is 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is COc1ccccc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is FWALIHPRBVBWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-9-19(22)24-17-11-14(7-8-15(12)17)20-18(21)10-13-5-3-4-6-16(13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 6469722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).