3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one

C24H26ClNO3 — CID 67373670

IUPAC3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)=C2O
InChIInChI=1S/C24H26ClNO3/c1-15-3-4-18(17-5-7-19(25)8-6-17)13-20(15)21-22(27)24(26-23(21)28)11-9-16(10-12-24)14-29-2/h3-8,13,16,27H,9-12,14H2,1-2H3,(H,26,28)
InChIKeyQUDJZAROROKQGO-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.29
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one

3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 67373670) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID67373670
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)=C2O
InChIInChI=1S/C24H26ClNO3/c1-15-3-4-18(17-5-7-19(25)8-6-17)13-20(15)21-22(27)24(26-23(21)28)11-9-16(10-12-24)14-29-2/h3-8,13,16,27H,9-12,14H2,1-2H3,(H,26,28)
InChIKeyQUDJZAROROKQGO-UHFFFAOYSA-N
XLogP5.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 67373670) is 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one is COCC1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)=C2O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is QUDJZAROROKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-15-3-4-18(17-5-7-19(25)8-6-17)13-20(15)21-22(27)24(26-23(21)28)11-9-16(10-12-24)14-29-2/h3-8,13,16,27H,9-12,14H2,1-2H3,(H,26,28).
What are the key properties of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 411.93 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67373670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).