9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one

C20H28N2O2 — CID 162631432

IUPAC9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)CC(C)(C)c2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-19(2,16-9-5-4-6-10-16)15-17(23)22-14-8-12-20(22)11-7-13-21(3)18(20)24/h4-6,9-10H,7-8,11-15H2,1-3H3
InChIKeyQSSMHBWRGIXVKJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.97
Rot. Bonds3

About 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one

9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631432) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631432
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)CC(C)(C)c2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-19(2,16-9-5-4-6-10-16)15-17(23)22-14-8-12-20(22)11-7-13-21(3)18(20)24/h4-6,9-10H,7-8,11-15H2,1-3H3
InChIKeyQSSMHBWRGIXVKJ-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diphenylpropanoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162636157
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 166598201
1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163309328
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629447
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-(3-methyl-3-phenylbutanoyl)piperidine-2-carboxylic acid
CID 119176322

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162631432) is 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2C(=O)CC(C)(C)c2ccccc2)C1=O.
What is the InChIKey of 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QSSMHBWRGIXVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,16-9-5-4-6-10-16)15-17(23)22-14-8-12-20(22)11-7-13-21(3)18(20)24/h4-6,9-10H,7-8,11-15H2,1-3H3.
What are the key properties of 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one?
9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 328.46 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).