8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one

C21H31FN2O2 — CID 56851950

IUPAC8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CCC2(CCC(=O)N2OCc2ccccc2F)CC1
InChIInChI=1S/C21H31FN2O2/c1-3-17(4-2)15-23-13-11-21(12-14-23)10-9-20(25)24(21)26-16-18-7-5-6-8-19(18)22/h5-8,17H,3-4,9-16H2,1-2H3
InChIKeyHBQFPITVKVDMSM-UHFFFAOYSA-N
MW362.49 g/mol
LogP4.15
Rot. Bonds7

About 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one

8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 56851950) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID56851950
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CCC2(CCC(=O)N2OCc2ccccc2F)CC1
InChIInChI=1S/C21H31FN2O2/c1-3-17(4-2)15-23-13-11-21(12-14-23)10-9-20(25)24(21)26-16-18-7-5-6-8-19(18)22/h5-8,17H,3-4,9-16H2,1-2H3
InChIKeyHBQFPITVKVDMSM-UHFFFAOYSA-N
XLogP4.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-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 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one (CID 56851950) is 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CCC2(CCC(=O)N2OCc2ccccc2F)CC1.
What is the InChIKey of 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HBQFPITVKVDMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-3-17(4-2)15-23-13-11-21(12-14-23)10-9-20(25)24(21)26-16-18-7-5-6-8-19(18)22/h5-8,17H,3-4,9-16H2,1-2H3.
What are the key properties of 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one?
8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylbutyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56851950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).