5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide

C12H17NO4 — CID 100694503

IUPAC5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C12H17NO4/c1-5-12(2,3)13-11(15)9-6-8(14)10(16-4)7-17-9/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyHQEUPOMKKXYTPR-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.57
Rot. Bonds4

About 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide

5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide (PubChem CID 100694503) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide
PubChem CID100694503
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C12H17NO4/c1-5-12(2,3)13-11(15)9-6-8(14)10(16-4)7-17-9/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyHQEUPOMKKXYTPR-UHFFFAOYSA-N
XLogP1.57
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-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 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide (CID 100694503) is 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide is CCC(C)(C)NC(=O)c1cc(=O)c(OC)co1.
What is the InChIKey of 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide?
The InChIKey is HQEUPOMKKXYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-5-12(2,3)13-11(15)9-6-8(14)10(16-4)7-17-9/h6-7H,5H2,1-4H3,(H,13,15).
What are the key properties of 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide?
5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 100694503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).