8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C16H24N2O4 — CID 20906718

IUPAC8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCC(C)NC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C16H24N2O4/c1-5-10(2)17-14(20)13-11(3)15(21)22-16(13)6-8-18(9-7-16)12(4)19/h10H,5-9H2,1-4H3,(H,17,20)
InChIKeyBKNSBOZOPXCYAF-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.16
Rot. Bonds3

About 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906718) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906718
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCC(C)NC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2
InChIInChI=1S/C16H24N2O4/c1-5-10(2)17-14(20)13-11(3)15(21)22-16(13)6-8-18(9-7-16)12(4)19/h10H,5-9H2,1-4H3,(H,17,20)
InChIKeyBKNSBOZOPXCYAF-UHFFFAOYSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906718) is 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCC(C)NC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2.
What is the InChIKey of 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is BKNSBOZOPXCYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-10(2)17-14(20)13-11(3)15(21)22-16(13)6-8-18(9-7-16)12(4)19/h10H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-butan-2-yl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).