9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H29FN2O2 — CID 118560898

IUPAC9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)C1OC2(CCN(CCc3ccccc3F)CC2)CN(C)C1=O
InChIInChI=1S/C20H29FN2O2/c1-15(2)18-19(24)22(3)14-20(25-18)9-12-23(13-10-20)11-8-16-6-4-5-7-17(16)21/h4-7,15,18H,8-14H2,1-3H3
InChIKeyMYCVKYWYRVHQEG-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.72
Rot. Bonds4

About 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118560898) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118560898
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)C1OC2(CCN(CCc3ccccc3F)CC2)CN(C)C1=O
InChIInChI=1S/C20H29FN2O2/c1-15(2)18-19(24)22(3)14-20(25-18)9-12-23(13-10-20)11-8-16-6-4-5-7-17(16)21/h4-7,15,18H,8-14H2,1-3H3
InChIKeyMYCVKYWYRVHQEG-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-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

Related Compounds

(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561089
(2S)-9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 118562414
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
tert-butyl 4-(2-fluorophenyl)-3-oxo-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 118567576
4-(2-fluorophenyl)-9-[2-(6-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562563
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 126744952
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64957110
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 135374678
4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567553
1-[2-(2-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64956982

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118560898) is 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)C1OC2(CCN(CCc3ccccc3F)CC2)CN(C)C1=O.
What is the InChIKey of 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MYCVKYWYRVHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15(2)18-19(24)22(3)14-20(25-18)9-12-23(13-10-20)11-8-16-6-4-5-7-17(16)21/h4-7,15,18H,8-14H2,1-3H3.
What are the key properties of 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-fluorophenyl)ethyl]-4-methyl-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118560898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).