3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane

C22H30N2O — CID 97370650

IUPAC3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3)cc1
InChIInChI=1S/C22H30N2O/c1-19-2-4-20(5-3-19)16-23-11-7-22(8-12-23)9-13-24(14-10-22)17-21-6-15-25-18-21/h2-6,15,18H,7-14,16-17H2,1H3
InChIKeyAVGBSWRZSVQKEM-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.47
Rot. Bonds4

About 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane

3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 97370650) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID97370650
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3)cc1
InChIInChI=1S/C22H30N2O/c1-19-2-4-20(5-3-19)16-23-11-7-22(8-12-23)9-13-24(14-10-22)17-21-6-15-25-18-21/h2-6,15,18H,7-14,16-17H2,1H3
InChIKeyAVGBSWRZSVQKEM-UHFFFAOYSA-N
XLogP4.47
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane 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-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane (CID 97370650) is 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane is Cc1ccc(CN2CCC3(CC2)CCN(Cc2ccoc2)CC3)cc1.
What is the InChIKey of 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is AVGBSWRZSVQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-19-2-4-20(5-3-19)16-23-11-7-22(8-12-23)9-13-24(14-10-22)17-21-6-15-25-18-21/h2-6,15,18H,7-14,16-17H2,1H3.
What are the key properties of 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane?
3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 338.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethyl)-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97370650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).