2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide

C21H21NO4 — CID 6229318

IUPAC2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1
InChIInChI=1S/C21H21NO4/c1-12-4-6-15(7-5-12)11-22-19(24)10-17-13(2)16-8-9-18(23)14(3)20(16)26-21(17)25/h4-9,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyYMCGIOQHGYUFMG-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.28
Rot. Bonds4

About 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 6229318) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID6229318
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1
InChIInChI=1S/C21H21NO4/c1-12-4-6-15(7-5-12)11-22-19(24)10-17-13(2)16-8-9-18(23)14(3)20(16)26-21(17)25/h4-9,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyYMCGIOQHGYUFMG-UHFFFAOYSA-N
XLogP3.28
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 6229318) is 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(C)c3oc2=O)cc1.
What is the InChIKey of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is YMCGIOQHGYUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-12-4-6-15(7-5-12)11-22-19(24)10-17-13(2)16-8-9-18(23)14(3)20(16)26-21(17)25/h4-9,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 6229318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).