1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one

C21H30N2O2 — CID 42324512

IUPAC1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)CC(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)15-19(25)22-13-11-21(12-14-22)10-9-18(24)23(21)16-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKeyRSILMYAFMPWDGF-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.61
Rot. Bonds3

About 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 42324512) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID42324512
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)(C)CC(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2,3)15-19(25)22-13-11-21(12-14-22)10-9-18(24)23(21)16-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKeyRSILMYAFMPWDGF-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[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 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one (CID 42324512) is 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one is CC(C)(C)CC(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RSILMYAFMPWDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2,3)15-19(25)22-13-11-21(12-14-22)10-9-18(24)23(21)16-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3.
What are the key properties of 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 42324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).