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

C24H29NO2 — CID 70679660

IUPAC2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(CC[C@@H](O)c2ccccc2)CCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C24H29NO2/c26-22(21-9-5-2-6-10-21)13-17-25-18-16-24(23(25)27)14-11-20(12-15-24)19-7-3-1-4-8-19/h1-10,20,22,26H,11-18H2/t20?,22-,24?/m1/s1
InChIKeyKXTKSLTWHNYFAJ-DJSMFCCRSA-N
MW363.50 g/mol
LogP4.69
Rot. Bonds5

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

2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one (PubChem CID 70679660) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one
PubChem CID70679660
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(CC[C@@H](O)c2ccccc2)CCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C24H29NO2/c26-22(21-9-5-2-6-10-21)13-17-25-18-16-24(23(25)27)14-11-20(12-15-24)19-7-3-1-4-8-19/h1-10,20,22,26H,11-18H2/t20?,22-,24?/m1/s1
InChIKeyKXTKSLTWHNYFAJ-DJSMFCCRSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one (CID 70679660) is 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one is O=C1N(CC[C@@H](O)c2ccccc2)CCC12CCC(c1ccccc1)CC2.
What is the InChIKey of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is KXTKSLTWHNYFAJ-DJSMFCCRSA-N. The full InChI is InChI=1S/C24H29NO2/c26-22(21-9-5-2-6-10-21)13-17-25-18-16-24(23(25)27)14-11-20(12-15-24)19-7-3-1-4-8-19/h1-10,20,22,26H,11-18H2/t20?,22-,24?/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one?
2-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 363.50 g/mol, XLogP of 4.69, 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-phenyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 70679660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).