N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide

C11H14N2O2 — CID 55208450

IUPACN-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide
SMILESCCN(CCC#N)C(=O)c1occc1C
InChIInChI=1S/C11H14N2O2/c1-3-13(7-4-6-12)11(14)10-9(2)5-8-15-10/h5,8H,3-4,7H2,1-2H3
InChIKeyICCDNABKIREEKJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.96
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide

N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide (PubChem CID 55208450) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide
PubChem CID55208450
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide
SMILESCCN(CCC#N)C(=O)c1occc1C
InChIInChI=1S/C11H14N2O2/c1-3-13(7-4-6-12)11(14)10-9(2)5-8-15-10/h5,8H,3-4,7H2,1-2H3
InChIKeyICCDNABKIREEKJ-UHFFFAOYSA-N
XLogP1.96
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
CID 65153233
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
N-(2-cyanoethyl)-N-ethyl-2-methyl-5-nitrobenzamide
CID 54992866
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
N-(2-cyanoethyl)-N-ethyl-3-methyl-4-nitrobenzamide
CID 54993104
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
N-(2-cyanoethyl)-N-ethyl-4-(trifluoromethyl)benzamide
CID 54992475
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 103857428
2-cyanoethyl(ethyl)carbamic acid
CID 18786016

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide (CID 55208450) is N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide is CCN(CCC#N)C(=O)c1occc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide?
The InChIKey is ICCDNABKIREEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-13(7-4-6-12)11(14)10-9(2)5-8-15-10/h5,8H,3-4,7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide?
N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide is sourced from PubChem (CID 55208450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).