4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H28N2O2 — CID 135332709

IUPAC4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCC(C)C)CC2)OCC1=O
InChIInChI=1S/C15H28N2O2/c1-4-17-12-15(19-11-14(17)18)6-9-16(10-7-15)8-5-13(2)3/h13H,4-12H2,1-3H3
InChIKeyOZMSKYHBIWXLSI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds4

About 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332709) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332709
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCC(C)C)CC2)OCC1=O
InChIInChI=1S/C15H28N2O2/c1-4-17-12-15(19-11-14(17)18)6-9-16(10-7-15)8-5-13(2)3/h13H,4-12H2,1-3H3
InChIKeyOZMSKYHBIWXLSI-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332709) is 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(CCC(C)C)CC2)OCC1=O.
What is the InChIKey of 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OZMSKYHBIWXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17-12-15(19-11-14(17)18)6-9-16(10-7-15)8-5-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 268.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).