4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide

C11H19N3O2 — CID 115620196

IUPAC4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
SMILESCCOCCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-16-9-3-4-11(15)14-6-5-10-12-7-8-13-10/h7-8H,2-6,9H2,1H3,(H,12,13)(H,14,15)
InChIKeyCZYNTTGRXXZOGN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.89
Rot. Bonds8

About 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide

4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide (PubChem CID 115620196) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
PubChem CID115620196
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
SMILESCCOCCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H19N3O2/c1-2-16-9-3-4-11(15)14-6-5-10-12-7-8-13-10/h7-8H,2-6,9H2,1H3,(H,12,13)(H,14,15)
InChIKeyCZYNTTGRXXZOGN-UHFFFAOYSA-N
XLogP0.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
CID 173264611
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
2-(3-ethoxycyclobutyl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 103164863
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 154885465
ethyl 5-(1H-imidazol-2-yl)pentanoate
CID 173264973
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115649554

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide?
The IUPAC name of 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide (CID 115620196) is 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide is CCOCCCC(=O)NCCc1ncc[nH]1.
What is the InChIKey of 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide?
The InChIKey is CZYNTTGRXXZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-16-9-3-4-11(15)14-6-5-10-12-7-8-13-10/h7-8H,2-6,9H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide?
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide has a molecular weight of 225.29 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 115620196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).