3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride

C14H20Cl2N4O — CID 119952744

IUPAC3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N4O.2ClH/c15-13(12-4-2-1-3-5-12)10-14(19)17-7-9-18-8-6-16-11-18;;/h1-6,8,11,13H,7,9-10,15H2,(H,17,19);2*1H
InChIKeyADBVGOWVQXTQAY-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.93
Rot. Bonds6

About 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride

3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride (PubChem CID 119952744) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
PubChem CID119952744
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)NCCn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N4O.2ClH/c15-13(12-4-2-1-3-5-12)10-14(19)17-7-9-18-8-6-16-11-18;;/h1-6,8,11,13H,7,9-10,15H2,(H,17,19);2*1H
InChIKeyADBVGOWVQXTQAY-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride 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

4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119527702
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
CID 124873986
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
2-imidazol-1-ylethylurea
CID 61061185

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride (CID 119952744) is 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride is Cl.Cl.NC(CC(=O)NCCn1ccnc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride?
The InChIKey is ADBVGOWVQXTQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c15-13(12-4-2-1-3-5-12)10-14(19)17-7-9-18-8-6-16-11-18;;/h1-6,8,11,13H,7,9-10,15H2,(H,17,19);2*1H.
What are the key properties of 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride?
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119952744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).