8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one

C17H24N2O2 — CID 50961229

IUPAC8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCOCc3ccccc3)CC2)CN1
InChIInChI=1S/C17H24N2O2/c20-16-12-17(14-18-16)6-8-19(9-7-17)10-11-21-13-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,20)
InChIKeyFPHNRMHWAIBSST-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.81
Rot. Bonds5

About 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50961229) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50961229
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(CCOCc3ccccc3)CC2)CN1
InChIInChI=1S/C17H24N2O2/c20-16-12-17(14-18-16)6-8-19(9-7-17)10-11-21-13-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,20)
InChIKeyFPHNRMHWAIBSST-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 50961229) is 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(CCOCc3ccccc3)CC2)CN1.
What is the InChIKey of 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FPHNRMHWAIBSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-12-17(14-18-16)6-8-19(9-7-17)10-11-21-13-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,18,20).
What are the key properties of 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 288.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylmethoxyethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50961229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).