4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H28N2O2 — CID 162674852

IUPAC4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC(c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-24-18-23(27-21(22(24)26)20-10-6-3-7-11-20)13-16-25(17-14-23)15-12-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKeyALMZJEZKZKZSND-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.29
Rot. Bonds4

About 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162674852) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162674852
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC(c2ccccc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-24-18-23(27-21(22(24)26)20-10-6-3-7-11-20)13-16-25(17-14-23)15-12-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKeyALMZJEZKZKZSND-UHFFFAOYSA-N
XLogP3.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162674852) is 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(CCc3ccccc3)CC2)OC(c2ccccc2)C1=O.
What is the InChIKey of 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ALMZJEZKZKZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-24-18-23(27-21(22(24)26)20-10-6-3-7-11-20)13-16-25(17-14-23)15-12-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3.
What are the key properties of 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162674852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).