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

C20H28N2O2 — CID 3077256

IUPAC3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)(C)C)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=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
InChIKeyJWLLFCONZBEGJS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.83
Rot. Bonds3

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 Name3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077256
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-tert-butyl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)(C)C)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=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
InChIKeyJWLLFCONZBEGJS-UHFFFAOYSA-N
XLogP3.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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).