2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H26F2N2O2 — CID 70713127

IUPAC2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3cccc(F)c3F)C2)CCC1=O
InChIInChI=1S/C20H26F2N2O2/c1-2-3-11-23-13-20(10-8-17(23)25)9-5-12-24(14-20)19(26)15-6-4-7-16(21)18(15)22/h4,6-7H,2-3,5,8-14H2,1H3
InChIKeyOUFRSONNNYTCSW-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.61
Rot. Bonds4

About 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one

2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70713127) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70713127
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3cccc(F)c3F)C2)CCC1=O
InChIInChI=1S/C20H26F2N2O2/c1-2-3-11-23-13-20(10-8-17(23)25)9-5-12-24(14-20)19(26)15-6-4-7-16(21)18(15)22/h4,6-7H,2-3,5,8-14H2,1H3
InChIKeyOUFRSONNNYTCSW-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one 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

2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755554
2-butyl-8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72902306
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988
2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70735392
8-(2-ethoxypyridine-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70757089
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579498
2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
CID 97279265
(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113092

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70713127) is 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(C(=O)c3cccc(F)c3F)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OUFRSONNNYTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-2-3-11-23-13-20(10-8-17(23)25)9-5-12-24(14-20)19(26)15-6-4-7-16(21)18(15)22/h4,6-7H,2-3,5,8-14H2,1H3.
What are the key properties of 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70713127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).