9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C18H24N2O3 — CID 118738778

IUPAC9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCCOCC(=O)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C18H24N2O3/c1-2-23-13-16(21)19-11-6-9-18(14-19)10-12-20(17(18)22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyLUEYVYKZGYKLSE-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.07
Rot. Bonds4

About 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118738778) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118738778
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCCOCC(=O)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C18H24N2O3/c1-2-23-13-16(21)19-11-6-9-18(14-19)10-12-20(17(18)22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3
InChIKeyLUEYVYKZGYKLSE-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-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 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 118738778) is 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is CCOCC(=O)N1CCCC2(CCN(c3ccccc3)C2=O)C1.
What is the InChIKey of 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is LUEYVYKZGYKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-13-16(21)19-11-6-9-18(14-19)10-12-20(17(18)22)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3.
What are the key properties of 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 316.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118738778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).