3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C18H24N2O4 — CID 56916704

IUPAC3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)CCCOCc3ccccc3)C2)OC1=O
InChIInChI=1S/C18H24N2O4/c1-19-13-18(24-17(19)22)9-10-20(14-18)16(21)8-5-11-23-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyJAYBWVNXELXCAS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.04
Rot. Bonds6

About 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56916704) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56916704
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)CCCOCc3ccccc3)C2)OC1=O
InChIInChI=1S/C18H24N2O4/c1-19-13-18(24-17(19)22)9-10-20(14-18)16(21)8-5-11-23-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyJAYBWVNXELXCAS-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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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Related Compounds

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tert-butyl (2S,4R)-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-4-phenylmethoxypyrrolidine-1-carboxylate
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CID 56883731
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CID 70787813
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56916704) is 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(C(=O)CCCOCc3ccccc3)C2)OC1=O.
What is the InChIKey of 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is JAYBWVNXELXCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19-13-18(24-17(19)22)9-10-20(14-18)16(21)8-5-11-23-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 332.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-phenylmethoxybutanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56916704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).