4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide

C25H21NO3 — CID 108790205

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NC(C)c4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C25H21NO3/c1-16-8-13-23-21(14-16)22(27)15-24(29-23)19-9-11-20(12-10-19)25(28)26-17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3,(H,26,28)
InChIKeyIIJYDQQADNBRHL-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.26
Rot. Bonds4

About 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide (PubChem CID 108790205) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
PubChem CID108790205
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NC(C)c4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C25H21NO3/c1-16-8-13-23-21(14-16)22(27)15-24(29-23)19-9-11-20(12-10-19)25(28)26-17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3,(H,26,28)
InChIKeyIIJYDQQADNBRHL-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
4-ethylsulfonyl-2-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]butanoic acid
CID 108803156
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790197
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide (CID 108790205) is 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NC(C)c4ccccc4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is IIJYDQQADNBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-16-8-13-23-21(14-16)22(27)15-24(29-23)19-9-11-20(12-10-19)25(28)26-17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3,(H,26,28).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 108790205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).