2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride

C16H27Cl2N3O — CID 120594845

IUPAC2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
SMILESCC(N)(C(=O)NCCCN1CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-16(17,14-8-3-2-4-9-14)15(20)18-10-7-13-19-11-5-6-12-19;;/h2-4,8-9H,5-7,10-13,17H2,1H3,(H,18,20);2*1H
InChIKeyZKJBMSHLDYUKSS-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.31
Rot. Bonds6

About 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride

2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride (PubChem CID 120594845) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
PubChem CID120594845
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
SMILESCC(N)(C(=O)NCCCN1CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-16(17,14-8-3-2-4-9-14)15(20)18-10-7-13-19-11-5-6-12-19;;/h2-4,8-9H,5-7,10-13,17H2,1H3,(H,18,20);2*1H
InChIKeyZKJBMSHLDYUKSS-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;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

2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 120593685
4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120596728
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide
CID 120593686
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride (CID 120594845) is 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride is CC(N)(C(=O)NCCCN1CCCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride?
The InChIKey is ZKJBMSHLDYUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-16(17,14-8-3-2-4-9-14)15(20)18-10-7-13-19-11-5-6-12-19;;/h2-4,8-9H,5-7,10-13,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride?
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride is sourced from PubChem (CID 120594845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).