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

C19H26N2O2 — CID 3077285

IUPAC4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCC)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C19H26N2O2/c1-3-12-21-16(2)19(23-18(21)22)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,2-3,9-15H2,1H3
InChIKeyUQBVBNUWFUOGQL-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.44
Rot. Bonds5

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

4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077285) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077285
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCC)C(=O)OC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C19H26N2O2/c1-3-12-21-16(2)19(23-18(21)22)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,2-3,9-15H2,1H3
InChIKeyUQBVBNUWFUOGQL-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077285) is 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CCC)C(=O)OC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UQBVBNUWFUOGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-12-21-16(2)19(23-18(21)22)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,2-3,9-15H2,1H3.
What are the key properties of 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-8-(2-phenylethyl)-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).