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

C20H28N2O2 — CID 3077256

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

3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077256) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 3077256
• Molecular Formula: C20H28N2O2
• Molecular Weight: 328.46 g/mol
• Exact Mass: 328.22
• IUPAC Name: 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: C=C1N(C(C)(C)C)C(=O)OC12CCN(CCc1ccccc1)CC2
• InChI: InChI=1S/C20H28N2O2/c1-16-20(24-18(23)22(16)19(2,3)4)11-14-21(15-12-20)13-10-17-8-6-5-7-9-17/h5-9H,1,10-15H2,2-4H3
• InChIKey: JWLLFCONZBEGJS-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.46
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077256) is 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C(C)(C)C)C(=O)OC12CCN(CCc1ccccc1)CC2.

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

The InChIKey is JWLLFCONZBEGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-20(24-18(23)22(16)19(2,3)4)11-14-21(15-12-20)13-10-17-8-6-5-7-9-17/h5-9H,1,10-15H2,2-4H3.

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

3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).