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

C20H28N2O2 — CID 3077267

IUPAC3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)CC)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H28N2O2/c1-4-16(2)22-17(3)20(24-19(22)23)11-14-21(15-12-20)13-10-18-8-6-5-7-9-18/h5-9,16H,3-4,10-15H2,1-2H3
InChIKeyKOJTVWYGQNXPOS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.83
Rot. Bonds5

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

3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077267) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077267
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)CC)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H28N2O2/c1-4-16(2)22-17(3)20(24-19(22)23)11-14-21(15-12-20)13-10-18-8-6-5-7-9-18/h5-9,16H,3-4,10-15H2,1-2H3
InChIKeyKOJTVWYGQNXPOS-UHFFFAOYSA-N
XLogP3.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077267) is 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C(C)CC)C(=O)OC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KOJTVWYGQNXPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-16(2)22-17(3)20(24-19(22)23)11-14-21(15-12-20)13-10-18-8-6-5-7-9-18/h5-9,16H,3-4,10-15H2,1-2H3.
What are the key properties of 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-butan-2-yl-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, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-methylidene-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).