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

C19H17NO3 — CID 6469780

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H17NO3/c1-12-5-3-4-6-14(12)10-18(21)20-15-7-8-16-13(2)9-19(22)23-17(16)11-15/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyPOINCYAOQZUURQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.59
Rot. Bonds3

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

N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide (PubChem CID 6469780) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide
PubChem CID6469780
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H17NO3/c1-12-5-3-4-6-14(12)10-18(21)20-15-7-8-16-13(2)9-19(22)23-17(16)11-15/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyPOINCYAOQZUURQ-UHFFFAOYSA-N
XLogP3.59
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide (CID 6469780) is N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is POINCYAOQZUURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-5-3-4-6-14(12)10-18(21)20-15-7-8-16-13(2)9-19(22)23-17(16)11-15/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 6469780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).