2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide

C12H15N3O2 — CID 114103254

IUPAC2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
SMILESCCc1occc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H15N3O2/c1-2-10-9(4-8-17-10)12(16)15-5-3-11-13-6-7-14-11/h4,6-8H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyICMGFXFUMQXJNX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.54
Rot. Bonds5

About 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide

2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide (PubChem CID 114103254) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
PubChem CID114103254
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
SMILESCCc1occc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H15N3O2/c1-2-10-9(4-8-17-10)12(16)15-5-3-11-13-6-7-14-11/h4,6-8H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyICMGFXFUMQXJNX-UHFFFAOYSA-N
XLogP1.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
N-[2-(1H-imidazol-2-yl)ethyl]-2-nitrobenzamide
CID 115620304

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide (CID 114103254) is 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide is CCc1occc1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The InChIKey is ICMGFXFUMQXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-10-9(4-8-17-10)12(16)15-5-3-11-13-6-7-14-11/h4,6-8H,2-3,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 114103254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).