3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one

C23H27NO3 — CID 24983792

IUPAC3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCOCc1ccccc1-c1ccc(CN2CC3(CCCCC3)OC2=O)cc1
InChIInChI=1S/C23H27NO3/c1-26-16-20-7-3-4-8-21(20)19-11-9-18(10-12-19)15-24-17-23(27-22(24)25)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKeyGSWPNOIRNGQBFX-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.16
Rot. Bonds5

About 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 24983792) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID24983792
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCOCc1ccccc1-c1ccc(CN2CC3(CCCCC3)OC2=O)cc1
InChIInChI=1S/C23H27NO3/c1-26-16-20-7-3-4-8-21(20)19-11-9-18(10-12-19)15-24-17-23(27-22(24)25)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKeyGSWPNOIRNGQBFX-UHFFFAOYSA-N
XLogP5.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-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-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 24983792) is 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one is COCc1ccccc1-c1ccc(CN2CC3(CCCCC3)OC2=O)cc1.
What is the InChIKey of 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is GSWPNOIRNGQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-26-16-20-7-3-4-8-21(20)19-11-9-18(10-12-19)15-24-17-23(27-22(24)25)13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-17H2,1H3.
What are the key properties of 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 365.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 24983792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).