2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

C14H18N4O2 — CID 28993548

IUPAC2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESNc1ccccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C14H18N4O2/c15-12-4-1-2-5-13(12)20-10-14(19)17-6-3-8-18-9-7-16-11-18/h1-2,4-5,7,9,11H,3,6,8,10,15H2,(H,17,19)
InChIKeyDGLCUSFZOOEXNW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds7

About 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide

2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 28993548) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID28993548
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESNc1ccccc1OCC(=O)NCCCn1ccnc1
InChIInChI=1S/C14H18N4O2/c15-12-4-1-2-5-13(12)20-10-14(19)17-6-3-8-18-9-7-16-11-18/h1-2,4-5,7,9,11H,3,6,8,10,15H2,(H,17,19)
InChIKeyDGLCUSFZOOEXNW-UHFFFAOYSA-N
XLogP1.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4973651
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
CID 60716733
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide (CID 28993548) is 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is Nc1ccccc1OCC(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is DGLCUSFZOOEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-12-4-1-2-5-13(12)20-10-14(19)17-6-3-8-18-9-7-16-11-18/h1-2,4-5,7,9,11H,3,6,8,10,15H2,(H,17,19).
What are the key properties of 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 28993548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).