N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide

C11H14N2O2 — CID 112726763

IUPACN-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)CCC#N)o1
InChIInChI=1S/C11H14N2O2/c1-3-9-5-6-10(15-9)11(14)13(2)8-4-7-12/h5-6H,3-4,8H2,1-2H3
InChIKeyDQISTINAVWFLCZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.83
Rot. Bonds4

About N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide

N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide (PubChem CID 112726763) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
PubChem CID112726763
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)CCC#N)o1
InChIInChI=1S/C11H14N2O2/c1-3-9-5-6-10(15-9)11(14)13(2)8-4-7-12/h5-6H,3-4,8H2,1-2H3
InChIKeyDQISTINAVWFLCZ-UHFFFAOYSA-N
XLogP1.83
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 78796865
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678
5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
CID 71974840
(2S)-2-cyano-3-(5-ethylfuran-2-yl)-N-methyl-3-oxopropanamide
CID 98450623
2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
CID 60501121
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
5-ethyl-N-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 52850973
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide (CID 112726763) is N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide is CCc1ccc(C(=O)N(C)CCC#N)o1.
What is the InChIKey of N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide?
The InChIKey is DQISTINAVWFLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-9-5-6-10(15-9)11(14)13(2)8-4-7-12/h5-6H,3-4,8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide?
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 112726763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).