N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide

C25H21NO3 — CID 154700876

IUPACN-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccc4c(C)cc(=O)oc4c3)cc2)cc1
InChIInChI=1S/C25H21NO3/c1-3-17-4-11-21(12-5-17)26-25(28)19-8-6-18(7-9-19)20-10-13-22-16(2)14-24(27)29-23(22)15-20/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyDSPPWVJXBRUINU-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.58
Rot. Bonds4

About N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide

N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 154700876) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID154700876
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccc4c(C)cc(=O)oc4c3)cc2)cc1
InChIInChI=1S/C25H21NO3/c1-3-17-4-11-21(12-5-17)26-25(28)19-8-6-18(7-9-19)20-10-13-22-16(2)14-24(27)29-23(22)15-20/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyDSPPWVJXBRUINU-UHFFFAOYSA-N
XLogP5.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
7-ethyl-4-methylchromen-2-one
CID 5160585
N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700861
(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 18272991
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide (CID 154700876) is N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide is CCc1ccc(NC(=O)c2ccc(-c3ccc4c(C)cc(=O)oc4c3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is DSPPWVJXBRUINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-3-17-4-11-21(12-5-17)26-25(28)19-8-6-18(7-9-19)20-10-13-22-16(2)14-24(27)29-23(22)15-20/h4-15H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 154700876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).