N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide

C13H18N2O2 — CID 65153233

IUPACN-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H18N2O2/c1-5-15(8-6-7-14)13(16)12-9(2)10(3)17-11(12)4/h5-6,8H2,1-4H3
InChIKeyJLXAPGSUQYDCDD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.58
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide

N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65153233) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65153233
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H18N2O2/c1-5-15(8-6-7-14)13(16)12-9(2)10(3)17-11(12)4/h5-6,8H2,1-4H3
InChIKeyJLXAPGSUQYDCDD-UHFFFAOYSA-N
XLogP2.58
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 60739984
N-(2-cyanoethyl)-2,4,5-trimethyl-N-phenylfuran-3-carboxamide
CID 65153086
N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide
CID 55208450
N-ethyl-2,4,5-trimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 75418090
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 113468246
4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125538
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
N-(2-cyanoethyl)-N-ethyl-4-(trifluoromethyl)benzamide
CID 54992475

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide (CID 65153233) is N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide is CCN(CCC#N)C(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is JLXAPGSUQYDCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-15(8-6-7-14)13(16)12-9(2)10(3)17-11(12)4/h5-6,8H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide?
N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.58, 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-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65153233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).