2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide

C8H14N4O2 — CID 106235178

IUPAC2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
SMILESNC(=O)COCCNCc1cnc[nH]1
InChIInChI=1S/C8H14N4O2/c9-8(13)5-14-2-1-10-3-7-4-11-6-12-7/h4,6,10H,1-3,5H2,(H2,9,13)(H,11,12)
InChIKeyXQEJQCCIYXOMLP-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.00
Rot. Bonds7

About 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide

2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide (PubChem CID 106235178) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
PubChem CID106235178
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
SMILESNC(=O)COCCNCc1cnc[nH]1
InChIInChI=1S/C8H14N4O2/c9-8(13)5-14-2-1-10-3-7-4-11-6-12-7/h4,6,10H,1-3,5H2,(H2,9,13)(H,11,12)
InChIKeyXQEJQCCIYXOMLP-UHFFFAOYSA-N
XLogP-1.00
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
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-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115770529
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
CID 115615526
4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
CID 62999360
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide (CID 106235178) is 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide is NC(=O)COCCNCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide?
The InChIKey is XQEJQCCIYXOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-8(13)5-14-2-1-10-3-7-4-11-6-12-7/h4,6,10H,1-3,5H2,(H2,9,13)(H,11,12).
What are the key properties of 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide?
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide has a molecular weight of 198.23 g/mol, XLogP of -1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide is sourced from PubChem (CID 106235178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).