N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide

C13H17N3O2 — CID 13371088

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1ccco1
InChIInChI=1S/C13H17N3O2/c1-2-12-14-7-9-16(12)8-4-6-15-13(17)11-5-3-10-18-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,15,17)
InChIKeyBHFOHFWGJKJLDF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.86
Rot. Bonds6

About N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide

N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 13371088) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
PubChem CID13371088
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1ccco1
InChIInChI=1S/C13H17N3O2/c1-2-12-14-7-9-16(12)8-4-6-15-13(17)11-5-3-10-18-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,15,17)
InChIKeyBHFOHFWGJKJLDF-UHFFFAOYSA-N
XLogP1.86
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 61405119
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
CID 70717961
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
CID 122246699
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide (CID 13371088) is N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide is CCc1nccn1CCCNC(=O)c1ccco1.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide?
The InChIKey is BHFOHFWGJKJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-12-14-7-9-16(12)8-4-6-15-13(17)11-5-3-10-18-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,15,17).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide?
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 13371088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).