1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

C15H26N2O3 — CID 110198010

IUPAC1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CN(C(=O)CC(C)C)CC12CCOCC2
InChIInChI=1S/C15H26N2O3/c1-4-17-14(19)10-16(13(18)9-12(2)3)11-15(17)5-7-20-8-6-15/h12H,4-11H2,1-3H3
InChIKeyPQTGPBAHCRXBDC-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.27
Rot. Bonds3

About 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one (PubChem CID 110198010) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
PubChem CID110198010
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CN(C(=O)CC(C)C)CC12CCOCC2
InChIInChI=1S/C15H26N2O3/c1-4-17-14(19)10-16(13(18)9-12(2)3)11-15(17)5-7-20-8-6-15/h12H,4-11H2,1-3H3
InChIKeyPQTGPBAHCRXBDC-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one (CID 110198010) is 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CN(C(=O)CC(C)C)CC12CCOCC2.
What is the InChIKey of 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The InChIKey is PQTGPBAHCRXBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-17-14(19)10-16(13(18)9-12(2)3)11-15(17)5-7-20-8-6-15/h12H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylbutanoyl)-9-oxa-1,4-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 110198010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).