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

C12H14N2O3 — CID 108740356

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide
SMILESCCCC(=O)Nc1oc(C)c(C(C)=O)c1C#N
InChIInChI=1S/C12H14N2O3/c1-4-5-10(16)14-12-9(6-13)11(7(2)15)8(3)17-12/h4-5H2,1-3H3,(H,14,16)
InChIKeyPJTYKEAEIBROFN-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.40
Rot. Bonds4

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

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide (PubChem CID 108740356) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide
PubChem CID108740356
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide
SMILESCCCC(=O)Nc1oc(C)c(C(C)=O)c1C#N
InChIInChI=1S/C12H14N2O3/c1-4-5-10(16)14-12-9(6-13)11(7(2)15)8(3)17-12/h4-5H2,1-3H3,(H,14,16)
InChIKeyPJTYKEAEIBROFN-UHFFFAOYSA-N
XLogP2.40
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide
CID 108740341
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 108763001
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 108762986
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354679
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108740284
methyl 4-cyano-2-methyl-5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
4-acetyl-5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]furan-3-carbonitrile
CID 108776483
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
(E)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 108740273
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108762929

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide (CID 108740356) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide is CCCC(=O)Nc1oc(C)c(C(C)=O)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide?
The InChIKey is PJTYKEAEIBROFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-5-10(16)14-12-9(6-13)11(7(2)15)8(3)17-12/h4-5H2,1-3H3,(H,14,16).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide has a molecular weight of 234.25 g/mol, XLogP of 2.40, 4 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)butanamide is sourced from PubChem (CID 108740356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).