2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide

C14H18N4O2 — CID 106235358

IUPAC2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H18N4O2/c15-14(19)10-20-8-6-16-9-12-1-3-13(4-2-12)18-7-5-17-11-18/h1-5,7,11,16H,6,8-10H2,(H2,15,19)
InChIKeyOVFCAAWYQVSSCT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.46
Rot. Bonds8

About 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide

2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide (PubChem CID 106235358) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
PubChem CID106235358
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H18N4O2/c15-14(19)10-20-8-6-16-9-12-1-3-13(4-2-12)18-7-5-17-11-18/h1-5,7,11,16H,6,8-10H2,(H2,15,19)
InChIKeyOVFCAAWYQVSSCT-UHFFFAOYSA-N
XLogP0.46
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide (CID 106235358) is 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide?
The InChIKey is OVFCAAWYQVSSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-14(19)10-20-8-6-16-9-12-1-3-13(4-2-12)18-7-5-17-11-18/h1-5,7,11,16H,6,8-10H2,(H2,15,19).
What are the key properties of 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide?
2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-imidazol-1-ylphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).