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

C19H28N2O2 — CID 118560993

IUPAC2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H28N2O2/c1-18(2)17(22)20(3)15-19(23-18)10-13-21(14-11-19)12-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKeyGDJGQLRIBJPRBA-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.33
Rot. Bonds3

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

2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118560993) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118560993
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H28N2O2/c1-18(2)17(22)20(3)15-19(23-18)10-13-21(14-11-19)12-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKeyGDJGQLRIBJPRBA-UHFFFAOYSA-N
XLogP2.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118560993) is 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(CCc3ccccc3)CC2)OC(C)(C)C1=O.
What is the InChIKey of 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GDJGQLRIBJPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2)17(22)20(3)15-19(23-18)10-13-21(14-11-19)12-9-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118560993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).