N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide

C25H21NO3 — CID 135006360

IUPACN-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide
SMILESC[C@@]1(NC(=O)c2ccccc2)C(=O)OC(c2ccccc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C25H21NO3/c1-25(26-23(27)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)17-22(29-24(25)28)19-13-7-3-8-14-19/h2-17,21H,1H3,(H,26,27)/t21-,25+/m1/s1
InChIKeyKTFTTZFITUTGKU-BWKNWUBXSA-N
MW383.45 g/mol
LogP4.56
Rot. Bonds4

About N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide

N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide (PubChem CID 135006360) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide
PubChem CID135006360
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide
SMILESC[C@@]1(NC(=O)c2ccccc2)C(=O)OC(c2ccccc2)=C[C@@H]1c1ccccc1
InChIInChI=1S/C25H21NO3/c1-25(26-23(27)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)17-22(29-24(25)28)19-13-7-3-8-14-19/h2-17,21H,1H3,(H,26,27)/t21-,25+/m1/s1
InChIKeyKTFTTZFITUTGKU-BWKNWUBXSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide?
The IUPAC name of N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide (CID 135006360) is N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide?
The canonical SMILES for N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide is C[C@@]1(NC(=O)c2ccccc2)C(=O)OC(c2ccccc2)=C[C@@H]1c1ccccc1.
What is the InChIKey of N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide?
The InChIKey is KTFTTZFITUTGKU-BWKNWUBXSA-N. The full InChI is InChI=1S/C25H21NO3/c1-25(26-23(27)20-15-9-4-10-16-20)21(18-11-5-2-6-12-18)17-22(29-24(25)28)19-13-7-3-8-14-19/h2-17,21H,1H3,(H,26,27)/t21-,25+/m1/s1.
What are the key properties of N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide?
N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methyl-2-oxo-4,6-diphenyl-4H-pyran-3-yl]benzamide is sourced from PubChem (CID 135006360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).