3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H27ClN2O2 — CID 10784911

About 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10784911) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 10784911
• Molecular Formula: C20H27ClN2O2
• Molecular Weight: 362.90 g/mol
• Exact Mass: 362.18
• IUPAC Name: 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: C=C1N(CCCC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C20H27ClN2O2/c1-3-4-12-23-16(2)20(25-19(23)24)10-14-22(15-11-20)13-9-17-5-7-18(21)8-6-17/h5-8H,2-4,9-15H2,1H3
• InChIKey: VHOUNXRLQDWTKR-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.90
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10784911) is 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CCCC)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.

What is the InChIKey of 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is VHOUNXRLQDWTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-3-4-12-23-16(2)20(25-19(23)24)10-14-22(15-11-20)13-9-17-5-7-18(21)8-6-17/h5-8H,2-4,9-15H2,1H3.

What are the key properties of 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.90 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butyl-8-[2-(4-chlorophenyl)ethyl]-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10784911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).