N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride

C15H20ClN3O3 — CID 16682262

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1ccc(OCC(=O)NCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-20-13-3-5-14(6-4-13)21-11-15(19)17-7-2-9-18-10-8-16-12-18;/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,17,19);1H
InChIKeyNMNLYQZZLOQNBO-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.90
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride

N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride (PubChem CID 16682262) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride
PubChem CID16682262
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1ccc(OCC(=O)NCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-20-13-3-5-14(6-4-13)21-11-15(19)17-7-2-9-18-10-8-16-12-18;/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,17,19);1H
InChIKeyNMNLYQZZLOQNBO-UHFFFAOYSA-N
XLogP1.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride (CID 16682262) is N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride is COc1ccc(OCC(=O)NCCCn2ccnc2)cc1.Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride?
The InChIKey is NMNLYQZZLOQNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-20-13-3-5-14(6-4-13)21-11-15(19)17-7-2-9-18-10-8-16-12-18;/h3-6,8,10,12H,2,7,9,11H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride?
N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 16682262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).