2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide

C11H20N4O2 — CID 103114266

IUPAC2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1cncc1C(N)CO
InChIInChI=1S/C11H20N4O2/c1-4-14(3)11(17)8(2)15-7-13-5-10(15)9(12)6-16/h5,7-9,16H,4,6,12H2,1-3H3
InChIKeyHQZPYEUPCWDJTD-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.09
Rot. Bonds5

About 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide

2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide (PubChem CID 103114266) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide
PubChem CID103114266
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1cncc1C(N)CO
InChIInChI=1S/C11H20N4O2/c1-4-14(3)11(17)8(2)15-7-13-5-10(15)9(12)6-16/h5,7-9,16H,4,6,12H2,1-3H3
InChIKeyHQZPYEUPCWDJTD-UHFFFAOYSA-N
XLogP-0.09
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide (CID 103114266) is 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)n1cncc1C(N)CO.
What is the InChIKey of 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide?
The InChIKey is HQZPYEUPCWDJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-14(3)11(17)8(2)15-7-13-5-10(15)9(12)6-16/h5,7-9,16H,4,6,12H2,1-3H3.
What are the key properties of 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide?
2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide has a molecular weight of 240.31 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103114266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).