3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C22H26N2O2 — CID 134794834

IUPAC3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(CN2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-25-21-10-8-19(9-11-21)16-24-13-5-12-22(17-24)15-20(23-26-22)14-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3
InChIKeyUXBWSZBUJMXTDX-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.05
Rot. Bonds5

About 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134794834) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134794834
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(CN2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-25-21-10-8-19(9-11-21)16-24-13-5-12-22(17-24)15-20(23-26-22)14-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3
InChIKeyUXBWSZBUJMXTDX-UHFFFAOYSA-N
XLogP4.05
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-9-[(1-methylpyrrol-2-yl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134795687
3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134790998
CID 134791671
CID 134791671
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3R,5S)-9-[(4-methoxyphenyl)methyl]-N-methyl-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98813764
7-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788234
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 175903976
1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
CID 19045403

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134794834) is 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is COc1ccc(CN2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1.
What is the InChIKey of 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is UXBWSZBUJMXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-21-10-8-19(9-11-21)16-24-13-5-12-22(17-24)15-20(23-26-22)14-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3.
What are the key properties of 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 350.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134794834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).