2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide

C11H19N3O2 — CID 86798633

IUPAC2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide
SMILESCCOC(C)C(=O)NCCc1cncn1C
InChIInChI=1S/C11H19N3O2/c1-4-16-9(2)11(15)13-6-5-10-7-12-8-14(10)3/h7-9H,4-6H2,1-3H3,(H,13,15)
InChIKeyREOQASKEVOFZBB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.50
Rot. Bonds6

About 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide

2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide (PubChem CID 86798633) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide
PubChem CID86798633
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide
SMILESCCOC(C)C(=O)NCCc1cncn1C
InChIInChI=1S/C11H19N3O2/c1-4-16-9(2)11(15)13-6-5-10-7-12-8-14(10)3/h7-9H,4-6H2,1-3H3,(H,13,15)
InChIKeyREOQASKEVOFZBB-UHFFFAOYSA-N
XLogP0.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide (CID 86798633) is 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide is CCOC(C)C(=O)NCCc1cncn1C.
What is the InChIKey of 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide?
The InChIKey is REOQASKEVOFZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-16-9(2)11(15)13-6-5-10-7-12-8-14(10)3/h7-9H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide?
2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(3-methylimidazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 86798633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).