4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide

C25H21NO4 — CID 2102682

IUPAC4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C25H21NO4/c1-16-5-3-4-6-22(16)26-25(28)19-9-7-18(8-10-19)15-29-20-11-12-21-17(2)13-24(27)30-23(21)14-20/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyKPZNLGMSMWFCFG-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.24
Rot. Bonds5

About 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide

4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide (PubChem CID 2102682) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
PubChem CID2102682
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C25H21NO4/c1-16-5-3-4-6-22(16)26-25(28)19-9-7-18(8-10-19)15-29-20-11-12-21-17(2)13-24(27)30-23(21)14-20/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyKPZNLGMSMWFCFG-UHFFFAOYSA-N
XLogP5.24
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304
N'-[2-(2-fluorophenoxy)acetyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
CID 2568378
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 17465642
N'-[2-(2-fluorophenoxy)propanoyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzohydrazide
CID 43003010
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409
[2-(4-tert-butylanilino)-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2377046
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
[1-(ethylamino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 45352154
1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide
CID 2443889

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide (CID 2102682) is 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide?
The InChIKey is KPZNLGMSMWFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-16-5-3-4-6-22(16)26-25(28)19-9-7-18(8-10-19)15-29-20-11-12-21-17(2)13-24(27)30-23(21)14-20/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide?
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 2102682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).