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

C12H16N2O3 — CID 55169420

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(C)o1
InChIInChI=1S/C12H16N2O3/c1-10-4-5-11(17-10)12(15)14(7-3-6-13)8-9-16-2/h4-5H,3,7-9H2,1-2H3
InChIKeyAZQWEUDFNFCARD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.59
Rot. Bonds6

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

N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide (PubChem CID 55169420) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
PubChem CID55169420
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1ccc(C)o1
InChIInChI=1S/C12H16N2O3/c1-10-4-5-11(17-10)12(15)14(7-3-6-13)8-9-16-2/h4-5H,3,7-9H2,1-2H3
InChIKeyAZQWEUDFNFCARD-UHFFFAOYSA-N
XLogP1.59
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 63237259
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
CID 106690138
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 63797540
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-sulfanylbenzamide
CID 107029635

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide (CID 55169420) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide is COCCN(CCC#N)C(=O)c1ccc(C)o1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide?
The InChIKey is AZQWEUDFNFCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10-4-5-11(17-10)12(15)14(7-3-6-13)8-9-16-2/h4-5H,3,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 55169420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).