3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H26N2O5 — CID 66901915

IUPAC3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2
InChIInChI=1S/C19H26N2O5/c1-24-11-12-25-14-17(22)20-9-7-19(8-10-20)15-21(18(23)26-19)13-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyPKPFCLCUYROTIV-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.66
Rot. Bonds7

About 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901915) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901915
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2
InChIInChI=1S/C19H26N2O5/c1-24-11-12-25-14-17(22)20-9-7-19(8-10-20)15-21(18(23)26-19)13-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyPKPFCLCUYROTIV-UHFFFAOYSA-N
XLogP1.66
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901915) is 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)O2.
What is the InChIKey of 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PKPFCLCUYROTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-24-11-12-25-14-17(22)20-9-7-19(8-10-20)15-21(18(23)26-19)13-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).