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

C25H31FN2O2 — CID 162667151

IUPAC4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O
InChIInChI=1S/C25H31FN2O2/c1-20-24(29)28(16-12-22-9-5-6-10-23(22)26)19-25(30-20)13-17-27(18-14-25)15-11-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
InChIKeyRMEKBOFUQAIQPI-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.69
Rot. Bonds6

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

4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162667151) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162667151
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O
InChIInChI=1S/C25H31FN2O2/c1-20-24(29)28(16-12-22-9-5-6-10-23(22)26)19-25(30-20)13-17-27(18-14-25)15-11-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
InChIKeyRMEKBOFUQAIQPI-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-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 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162667151) is 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3)CC2)CN(CCc2ccccc2F)C1=O.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RMEKBOFUQAIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-20-24(29)28(16-12-22-9-5-6-10-23(22)26)19-25(30-20)13-17-27(18-14-25)15-11-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3.
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 410.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162667151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).