2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one

C25H31NO2 — CID 70679663

IUPAC2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1CCC2(CC1)CCN(CC[C@@H](O)c1ccccc1)C2=O
InChIInChI=1S/C25H31NO2/c1-19-7-5-6-10-22(19)20-11-14-25(15-12-20)16-18-26(24(25)28)17-13-23(27)21-8-3-2-4-9-21/h2-10,20,23,27H,11-18H2,1H3/t20?,23-,25?/m1/s1
InChIKeyCGMKQAVVOKDQGX-JKJRPBHFSA-N
MW377.53 g/mol
LogP5.00
Rot. Bonds5

About 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one

2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 70679663) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID70679663
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1CCC2(CC1)CCN(CC[C@@H](O)c1ccccc1)C2=O
InChIInChI=1S/C25H31NO2/c1-19-7-5-6-10-22(19)20-11-14-25(15-12-20)16-18-26(24(25)28)17-13-23(27)21-8-3-2-4-9-21/h2-10,20,23,27H,11-18H2,1H3/t20?,23-,25?/m1/s1
InChIKeyCGMKQAVVOKDQGX-JKJRPBHFSA-N
XLogP5.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-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 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one (CID 70679663) is 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one is Cc1ccccc1C1CCC2(CC1)CCN(CC[C@@H](O)c1ccccc1)C2=O.
What is the InChIKey of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is CGMKQAVVOKDQGX-JKJRPBHFSA-N. The full InChI is InChI=1S/C25H31NO2/c1-19-7-5-6-10-22(19)20-11-14-25(15-12-20)16-18-26(24(25)28)17-13-23(27)21-8-3-2-4-9-21/h2-10,20,23,27H,11-18H2,1H3/t20?,23-,25?/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one?
2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 377.53 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-(2-methylphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 70679663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).