4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C24H35FN2O3 — CID 20521999

IUPAC4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1C(=O)COC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1CC
InChIInChI=1S/C24H35FN2O3/c1-3-5-15-27-22(4-2)24(30-18-23(27)29)12-16-26(17-13-24)14-6-7-21(28)19-8-10-20(25)11-9-19/h8-11,22H,3-7,12-18H2,1-2H3
InChIKeyGBQFISOREQHRDL-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.06
Rot. Bonds9

About 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20521999) has the molecular formula C24H35FN2O3 and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20521999
Molecular FormulaC24H35FN2O3
Molecular Weight418.55 g/mol
Exact Mass418.26
IUPAC Name4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1C(=O)COC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1CC
InChIInChI=1S/C24H35FN2O3/c1-3-5-15-27-22(4-2)24(30-18-23(27)29)12-16-26(17-13-24)14-6-7-21(28)19-8-10-20(25)11-9-19/h8-11,22H,3-7,12-18H2,1-2H3
InChIKeyGBQFISOREQHRDL-UHFFFAOYSA-N
XLogP4.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-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

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20521999) is 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCCN1C(=O)COC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1CC.
What is the InChIKey of 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GBQFISOREQHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN2O3/c1-3-5-15-27-22(4-2)24(30-18-23(27)29)12-16-26(17-13-24)14-6-7-21(28)19-8-10-20(25)11-9-19/h8-11,22H,3-7,12-18H2,1-2H3.
What are the key properties of 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 418.55 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20521999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).