2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide

C13H17NO2 — CID 106228530

IUPAC2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccoc1CC
InChIInChI=1S/C13H17NO2/c1-4-7-10(5-2)14-13(15)11-8-9-16-12(11)6-3/h2,8-10H,4,6-7H2,1,3H3,(H,14,15)
InChIKeyPOIUCVFHLLLRLX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.37
Rot. Bonds5

About 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide

2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide (PubChem CID 106228530) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
PubChem CID106228530
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccoc1CC
InChIInChI=1S/C13H17NO2/c1-4-7-10(5-2)14-13(15)11-8-9-16-12(11)6-3/h2,8-10H,4,6-7H2,1,3H3,(H,14,15)
InChIKeyPOIUCVFHLLLRLX-UHFFFAOYSA-N
XLogP2.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-hex-1-yn-3-ylfuran-3-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

2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
CID 103529071
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
4-chloro-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 103528497
N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
CID 106228601
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109
2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-carboxamide
CID 106282190

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide?
The IUPAC name of 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide (CID 106228530) is 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide?
The canonical SMILES for 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide is C#CC(CCC)NC(=O)c1ccoc1CC.
What is the InChIKey of 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide?
The InChIKey is POIUCVFHLLLRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-7-10(5-2)14-13(15)11-8-9-16-12(11)6-3/h2,8-10H,4,6-7H2,1,3H3,(H,14,15).
What are the key properties of 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide?
2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide is sourced from PubChem (CID 106228530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).