3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

C24H23NO3 — CID 144858372

IUPAC3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
SMILESCc1cc(=O)c(C2CCC2)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C24H23NO3/c1-16-14-21(26)22(20-8-5-9-20)23(28-16)24(27)25-15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H,25,27)
InChIKeyXIYDULWZQVKRKJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.81
Rot. Bonds5

About 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide

3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide (PubChem CID 144858372) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
PubChem CID144858372
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
SMILESCc1cc(=O)c(C2CCC2)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C24H23NO3/c1-16-14-21(26)22(20-8-5-9-20)23(28-16)24(27)25-15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H,25,27)
InChIKeyXIYDULWZQVKRKJ-UHFFFAOYSA-N
XLogP4.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
CID 118146956
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031
N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide
CID 144663710
[4-[[4-oxo-2-[(4-phenylphenyl)methylcarbamoyl]pyran-3-yl]oxymethyl]phenyl] acetate
CID 72701668
N-[(3,5-dimethylphenyl)methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
CID 139935058
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170766335
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
[2-acetyloxy-4-[[4-oxo-2-[(4-phenylphenyl)methylcarbamoyl]pyran-3-yl]oxymethyl]phenyl] acetate
CID 72701669
ethane;(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170790898

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The IUPAC name of 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide (CID 144858372) is 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide.
What is the SMILES notation for 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The canonical SMILES for 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide is Cc1cc(=O)c(C2CCC2)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
The InChIKey is XIYDULWZQVKRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16-14-21(26)22(20-8-5-9-20)23(28-16)24(27)25-15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H,25,27).
What are the key properties of 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide?
3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-6-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide is sourced from PubChem (CID 144858372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).