8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C17H24N2O2 — CID 118743321

IUPAC8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(CCO)CC2
InChIInChI=1S/C17H24N2O2/c1-18-16(21)15(14-5-3-2-4-6-14)13-17(18)7-9-19(10-8-17)11-12-20/h2-6,15,20H,7-13H2,1H3
InChIKeyHMWXSJQXUCSFQP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.46
Rot. Bonds3

About 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118743321) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118743321
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(CCO)CC2
InChIInChI=1S/C17H24N2O2/c1-18-16(21)15(14-5-3-2-4-6-14)13-17(18)7-9-19(10-8-17)11-12-20/h2-6,15,20H,7-13H2,1H3
InChIKeyHMWXSJQXUCSFQP-UHFFFAOYSA-N
XLogP1.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118743321) is 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C(c2ccccc2)CC12CCN(CCO)CC2.
What is the InChIKey of 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HMWXSJQXUCSFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-16(21)15(14-5-3-2-4-6-14)13-17(18)7-9-19(10-8-17)11-12-20/h2-6,15,20H,7-13H2,1H3.
What are the key properties of 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118743321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).