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

C19H28N2O3 — CID 72855189

IUPAC8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(CCOCCO)CC2
InChIInChI=1S/C19H28N2O3/c1-20-18(23)17(16-5-3-2-4-6-16)15-19(20)7-9-21(10-8-19)11-13-24-14-12-22/h2-6,17,22H,7-15H2,1H3
InChIKeySOUBHCQSHCLBDE-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.48
Rot. Bonds6

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

8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72855189) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72855189
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(CCOCCO)CC2
InChIInChI=1S/C19H28N2O3/c1-20-18(23)17(16-5-3-2-4-6-16)15-19(20)7-9-21(10-8-19)11-13-24-14-12-22/h2-6,17,22H,7-15H2,1H3
InChIKeySOUBHCQSHCLBDE-UHFFFAOYSA-N
XLogP1.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72855189) is 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)C(c2ccccc2)CC12CCN(CCOCCO)CC2.
What is the InChIKey of 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SOUBHCQSHCLBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20-18(23)17(16-5-3-2-4-6-16)15-19(20)7-9-21(10-8-19)11-13-24-14-12-22/h2-6,17,22H,7-15H2,1H3.
What are the key properties of 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 332.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72855189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).