8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C17H26N2O4 — CID 20906707

IUPAC8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC(C)C
InChIInChI=1S/C17H26N2O4/c1-11(2)5-8-18-15(21)14-12(3)16(22)23-17(14)6-9-19(10-7-17)13(4)20/h11H,5-10H2,1-4H3,(H,18,21)
InChIKeyZJDZKIFGSKFTLO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.40
Rot. Bonds4

About 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906707) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906707
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC(C)C
InChIInChI=1S/C17H26N2O4/c1-11(2)5-8-18-15(21)14-12(3)16(22)23-17(14)6-9-19(10-7-17)13(4)20/h11H,5-10H2,1-4H3,(H,18,21)
InChIKeyZJDZKIFGSKFTLO-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906707) is 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC(C)C.
What is the InChIKey of 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is ZJDZKIFGSKFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)5-8-18-15(21)14-12(3)16(22)23-17(14)6-9-19(10-7-17)13(4)20/h11H,5-10H2,1-4H3,(H,18,21).
What are the key properties of 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-methyl-N-(3-methylbutyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).