3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane

C26H37NO2 — CID 91419873

IUPAC3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane
SMILESCC.CC.CC.Cc1c(OCc2ccccc2)cc(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H19NO2.3C2H6/c1-15-13-19(23-14-17-9-5-3-6-10-17)16(2)20(22)21(15)18-11-7-4-8-12-18;3*1-2/h3-13H,14H2,1-2H3;3*1-2H3
InChIKeyKBVLYYSREJOXPO-UHFFFAOYSA-N
MW395.59 g/mol
LogP7.11
Rot. Bonds4

About 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane

3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane (PubChem CID 91419873) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane
PubChem CID91419873
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane
SMILESCC.CC.CC.Cc1c(OCc2ccccc2)cc(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H19NO2.3C2H6/c1-15-13-19(23-14-17-9-5-3-6-10-17)16(2)20(22)21(15)18-11-7-4-8-12-18;3*1-2/h3-13H,14H2,1-2H3;3*1-2H3
InChIKeyKBVLYYSREJOXPO-UHFFFAOYSA-N
XLogP7.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
CID 67777479
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
CID 163740484
CID 163740484
4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
CID 163961951
1,2-dimethyl-5-phenyl-3-phenylmethoxybenzene
CID 175309090
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 22051017
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
CID 69299373

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane?
The IUPAC name of 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane (CID 91419873) is 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane?
The canonical SMILES for 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane is CC.CC.CC.Cc1c(OCc2ccccc2)cc(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane?
The InChIKey is KBVLYYSREJOXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2.3C2H6/c1-15-13-19(23-14-17-9-5-3-6-10-17)16(2)20(22)21(15)18-11-7-4-8-12-18;3*1-2/h3-13H,14H2,1-2H3;3*1-2H3.
What are the key properties of 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane?
3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane has a molecular weight of 395.59 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane is sourced from PubChem (CID 91419873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).