7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one

C18H24N2O4 — CID 91920707

IUPAC7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCOCCOCC(=O)N1CCC2(CC1)CN(c1ccccc1)C2=O
InChIInChI=1S/C18H24N2O4/c1-23-11-12-24-13-16(21)19-9-7-18(8-10-19)14-20(17(18)22)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyAXWNNGSZDBMWDA-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.30
Rot. Bonds6

About 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one

7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 91920707) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID91920707
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCOCCOCC(=O)N1CCC2(CC1)CN(c1ccccc1)C2=O
InChIInChI=1S/C18H24N2O4/c1-23-11-12-24-13-16(21)19-9-7-18(8-10-19)14-20(17(18)22)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyAXWNNGSZDBMWDA-UHFFFAOYSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
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 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one (CID 91920707) is 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one is COCCOCC(=O)N1CCC2(CC1)CN(c1ccccc1)C2=O.
What is the InChIKey of 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is AXWNNGSZDBMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-11-12-24-13-16(21)19-9-7-18(8-10-19)14-20(17(18)22)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 332.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 91920707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).