5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide

C14H20N2O2 — CID 107487184

IUPAC5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC2=CCNCC2)o1
InChIInChI=1S/C14H20N2O2/c1-2-12-3-4-13(18-12)14(17)16-10-7-11-5-8-15-9-6-11/h3-5,15H,2,6-10H2,1H3,(H,16,17)
InChIKeyGHEKYAXHEDLJQH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds5

About 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide

5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide (PubChem CID 107487184) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
PubChem CID107487184
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC2=CCNCC2)o1
InChIInChI=1S/C14H20N2O2/c1-2-12-3-4-13(18-12)14(17)16-10-7-11-5-8-15-9-6-11/h3-5,15H,2,6-10H2,1H3,(H,16,17)
InChIKeyGHEKYAXHEDLJQH-UHFFFAOYSA-N
XLogP1.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pentanamide
CID 107487391
5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide (CID 107487184) is 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide is CCc1ccc(C(=O)NCCC2=CCNCC2)o1.
What is the InChIKey of 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is GHEKYAXHEDLJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-12-3-4-13(18-12)14(17)16-10-7-11-5-8-15-9-6-11/h3-5,15H,2,6-10H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide?
5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 107487184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).