2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide

C13H16N2O3 — CID 60501121

IUPAC2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C#N)C(=O)c1ccc(CC)o1
InChIInChI=1S/C13H16N2O3/c1-3-7-15-13(17)10(8-14)12(16)11-6-5-9(4-2)18-11/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyRWKBOPXWQJMIAY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.69
Rot. Bonds6

About 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide

2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide (PubChem CID 60501121) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
PubChem CID60501121
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
SMILESCCCNC(=O)C(C#N)C(=O)c1ccc(CC)o1
InChIInChI=1S/C13H16N2O3/c1-3-7-15-13(17)10(8-14)12(16)11-6-5-9(4-2)18-11/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyRWKBOPXWQJMIAY-UHFFFAOYSA-N
XLogP1.69
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyano-3-(5-ethylfuran-2-yl)-N-methyl-3-oxopropanamide
CID 98450623
2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
CID 79094932
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
2-cyano-3-(furan-3-yl)-3-oxo-N-propylpropanamide
CID 60501413
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
2-cyano-3-[5-(methoxymethyl)furan-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide
CID 78895491
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
CID 112510646
2-cyano-3-oxo-5-phenyl-N-propylpent-4-enamide
CID 76888162
(2S)-N-benzyl-2-cyano-3-(4-ethylphenyl)-3-oxopropanamide
CID 96570961
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide?
The IUPAC name of 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide (CID 60501121) is 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide.
What is the SMILES notation for 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide?
The canonical SMILES for 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide is CCCNC(=O)C(C#N)C(=O)c1ccc(CC)o1.
What is the InChIKey of 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide?
The InChIKey is RWKBOPXWQJMIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-7-15-13(17)10(8-14)12(16)11-6-5-9(4-2)18-11/h5-6,10H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide?
2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide is sourced from PubChem (CID 60501121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).