2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H26N2O3 — CID 154663471

IUPAC2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(O)C1=O
InChIInChI=1S/C18H26N2O3/c1-17(22)16(21)19(2)14-18(23-17)9-12-20(13-10-18)11-8-15-6-4-3-5-7-15/h3-7,22H,8-14H2,1-2H3
InChIKeyNRKMHSDEDXEKGZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.26
Rot. Bonds3

About 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 154663471) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID154663471
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(O)C1=O
InChIInChI=1S/C18H26N2O3/c1-17(22)16(21)19(2)14-18(23-17)9-12-20(13-10-18)11-8-15-6-4-3-5-7-15/h3-7,22H,8-14H2,1-2H3
InChIKeyNRKMHSDEDXEKGZ-UHFFFAOYSA-N
XLogP1.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-(2-hydroxyethyl)-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561038
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one
CID 54004122
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561108
1,3-dimethyl-3-[1-(2-phenylethyl)piperidin-4-yl]azepan-2-one
CID 110261989
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 154663471) is 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(O)C1=O.
What is the InChIKey of 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NRKMHSDEDXEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(22)16(21)19(2)14-18(23-17)9-12-20(13-10-18)11-8-15-6-4-3-5-7-15/h3-7,22H,8-14H2,1-2H3.
What are the key properties of 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 154663471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).