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

C18H24N2O2 — CID 19814275

IUPAC8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)C)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C18H24N2O2/c1-14(2)20-15(3)18(22-17(20)21)9-11-19(12-10-18)13-16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3
InChIKeyIUSPGJPHTRTJRI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.40
Rot. Bonds3

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

8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814275) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814275
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)C)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C18H24N2O2/c1-14(2)20-15(3)18(22-17(20)21)9-11-19(12-10-18)13-16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3
InChIKeyIUSPGJPHTRTJRI-UHFFFAOYSA-N
XLogP3.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-benzyl-
CID 199815
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-(phenylmethyl)-
CID 3077238
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(3-phenylpropyl)-
CID 3077244
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 4-methylene-3-phenyl-8-(2-phenylethyl)-
CID 3077245
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-methyl-4-methylene-8-(2-phenylethyl)-
CID 3077247
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-(4-methylphenyl)ethyl)-, monohydrochloride
CID 3077249
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-cyclohexyl-8-(2-(4-fluorophenyl)ethyl)-4-methylene-
CID 3077251
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-ethyl-4-methylene-8-(2-phenylethyl)-
CID 3077253
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-methyl-4-methylene-
CID 3077255
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 3-(1,1-dimethylethyl)-4-methylene-8-(2-phenylethyl)-
CID 3077256
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-4-methylene-3-(1-methylethyl)-
CID 3077257
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-3-methyl-4-methylene-
CID 3077258

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814275) is 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C(C)C)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IUSPGJPHTRTJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)20-15(3)18(22-17(20)21)9-11-19(12-10-18)13-16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).