8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H32N2O2 — CID 19814263

IUPAC8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCCCCCC)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c1-3-4-5-6-10-15-24-19(2)22(26-21(24)25)13-16-23(17-14-22)18-20-11-8-7-9-12-20/h7-9,11-12H,2-6,10,13-18H2,1H3
InChIKeyULGOCOOPDSVEFW-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.96
Rot. Bonds8

About 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814263) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814263
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCCCCCC)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C22H32N2O2/c1-3-4-5-6-10-15-24-19(2)22(26-21(24)25)13-16-23(17-14-22)18-20-11-8-7-9-12-20/h7-9,11-12H,2-6,10,13-18H2,1H3
InChIKeyULGOCOOPDSVEFW-UHFFFAOYSA-N
XLogP4.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
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-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814263) is 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CCCCCCC)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ULGOCOOPDSVEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-4-5-6-10-15-24-19(2)22(26-21(24)25)13-16-23(17-14-22)18-20-11-8-7-9-12-20/h7-9,11-12H,2-6,10,13-18H2,1H3.
What are the key properties of 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 356.51 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-heptyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).