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

C19H26N2O2 — CID 19814291

IUPAC8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCCC)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C19H26N2O2/c1-3-4-12-21-16(2)19(23-18(21)22)10-13-20(14-11-19)15-17-8-6-5-7-9-17/h5-9H,2-4,10-15H2,1H3
InChIKeyCTINMEXFLLVMEX-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.79
Rot. Bonds5

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

8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814291) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814291
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(CCCC)C(=O)OC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C19H26N2O2/c1-3-4-12-21-16(2)19(23-18(21)22)10-13-20(14-11-19)15-17-8-6-5-7-9-17/h5-9H,2-4,10-15H2,1H3
InChIKeyCTINMEXFLLVMEX-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814291) is 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(CCCC)C(=O)OC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CTINMEXFLLVMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-12-21-16(2)19(23-18(21)22)10-13-20(14-11-19)15-17-8-6-5-7-9-17/h5-9H,2-4,10-15H2,1H3.
What are the key properties of 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-butyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).