N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide

C13H16N2O3 — CID 108740341

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide
SMILESCC(=O)c1c(C)oc(NC(=O)C(C)(C)C)c1C#N
InChIInChI=1S/C13H16N2O3/c1-7(16)10-8(2)18-11(9(10)6-14)15-12(17)13(3,4)5/h1-5H3,(H,15,17)
InChIKeyHMQPMTMASILRRQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.65
Rot. Bonds2

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide (PubChem CID 108740341) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide
PubChem CID108740341
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide
SMILESCC(=O)c1c(C)oc(NC(=O)C(C)(C)C)c1C#N
InChIInChI=1S/C13H16N2O3/c1-7(16)10-8(2)18-11(9(10)6-14)15-12(17)13(3,4)5/h1-5H3,(H,15,17)
InChIKeyHMQPMTMASILRRQ-UHFFFAOYSA-N
XLogP2.65
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide (CID 108740341) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide is CC(=O)c1c(C)oc(NC(=O)C(C)(C)C)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide?
The InChIKey is HMQPMTMASILRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(16)10-8(2)18-11(9(10)6-14)15-12(17)13(3,4)5/h1-5H3,(H,15,17).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 108740341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).