3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

C20H17NO3 — CID 118146956

IUPAC3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)occc1=O
InChIInChI=1S/C20H17NO3/c1-14-18(22)11-12-24-19(14)20(23)21-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,21,23)
InChIKeyAMOUPFQXXVMXTQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.55
Rot. Bonds4

About 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide (PubChem CID 118146956) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
PubChem CID118146956
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)occc1=O
InChIInChI=1S/C20H17NO3/c1-14-18(22)11-12-24-19(14)20(23)21-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,21,23)
InChIKeyAMOUPFQXXVMXTQ-UHFFFAOYSA-N
XLogP3.55
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[4-oxo-2-[(4-phenylphenyl)methylcarbamoyl]pyran-3-yl]oxymethyl]phenyl] acetate
CID 72701668
[2-acetyloxy-4-[[4-oxo-2-[(4-phenylphenyl)methylcarbamoyl]pyran-3-yl]oxymethyl]phenyl] acetate
CID 72701669
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 46494251
3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
CID 144858372
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylfuran-2-carboxamide
CID 76932847
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
(4-phenylphenyl)methylcarbamothioylurea
CID 175709180
3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide (CID 118146956) is 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide is Cc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)occc1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The InChIKey is AMOUPFQXXVMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-18(22)11-12-24-19(14)20(23)21-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide is sourced from PubChem (CID 118146956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).