2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide

C8H14N4O — CID 64529772

IUPAC2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESCCNCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C8H14N4O/c1-2-9-6-8(13)12-5-7-10-3-4-11-7/h3-4,9H,2,5-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyWQBBYWUJJNWMTD-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.36
Rot. Bonds5

About 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide

2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 64529772) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID64529772
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESCCNCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C8H14N4O/c1-2-9-6-8(13)12-5-7-10-3-4-11-7/h3-4,9H,2,5-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyWQBBYWUJJNWMTD-UHFFFAOYSA-N
XLogP-0.36
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 79272188
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-2-methylpropanamide
CID 64531160
5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64548154
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64530362
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide
CID 119111097
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241416

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide (CID 64529772) is 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide is CCNCC(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is WQBBYWUJJNWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-9-6-8(13)12-5-7-10-3-4-11-7/h3-4,9H,2,5-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide?
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 64529772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).