N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide

C12H16N2O2 — CID 78989486

IUPACN-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)(C#N)CC)o1
InChIInChI=1S/C12H16N2O2/c1-4-9-6-7-10(16-9)11(15)14-12(3,5-2)8-13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyHZELIWCIZSZPHM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.26
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide

N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide (PubChem CID 78989486) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
PubChem CID78989486
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)(C#N)CC)o1
InChIInChI=1S/C12H16N2O2/c1-4-9-6-7-10(16-9)11(15)14-12(3,5-2)8-13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyHZELIWCIZSZPHM-UHFFFAOYSA-N
XLogP2.26
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
CID 55139521
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
N-tert-butyl-5-butylfuran-2-carboxamide
CID 70989839
N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
CID 112731234

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide (CID 78989486) is N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC(C)(C#N)CC)o1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide?
The InChIKey is HZELIWCIZSZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-9-6-7-10(16-9)11(15)14-12(3,5-2)8-13/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide?
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 78989486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).