2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide

C11H18N4O2 — CID 55180153

IUPAC2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide
SMILESNCc1nccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C11H18N4O2/c12-7-10-13-3-4-15(10)8-11(16)14-9-1-5-17-6-2-9/h3-4,9H,1-2,5-8,12H2,(H,14,16)
InChIKeyNNPVVAMJQLWJPH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.36
Rot. Bonds4

About 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide

2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 55180153) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID55180153
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide
SMILESNCc1nccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C11H18N4O2/c12-7-10-13-3-4-15(10)8-11(16)14-9-1-5-17-6-2-9/h3-4,9H,1-2,5-8,12H2,(H,14,16)
InChIKeyNNPVVAMJQLWJPH-UHFFFAOYSA-N
XLogP-0.36
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
N1-(tert-butyl)-N2-(2-(2-methyl-1H-imidazol-1-yl)ethyl)oxalamide
CID 45585497
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 47253569
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53561047
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53571257
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
2-(Tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 56824877
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 71893158
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide (CID 55180153) is 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide is NCc1nccn1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is NNPVVAMJQLWJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-7-10-13-3-4-15(10)8-11(16)14-9-1-5-17-6-2-9/h3-4,9H,1-2,5-8,12H2,(H,14,16).
What are the key properties of 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide?
2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)imidazol-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 55180153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).