2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride

C20H27Cl2N3O — CID 119835745

IUPAC2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O.2ClH/c21-19(18-6-2-1-3-7-18)20(24)22-14-16-8-10-17(11-9-16)15-23-12-4-5-13-23;;/h1-3,6-11,19H,4-5,12-15,21H2,(H,22,24);2*1H
InChIKeyISSRQEFUCIWKTF-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.44
Rot. Bonds6

About 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride

2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride (PubChem CID 119835745) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
PubChem CID119835745
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O.2ClH/c21-19(18-6-2-1-3-7-18)20(24)22-14-16-8-10-17(11-9-16)15-23-12-4-5-13-23;;/h1-3,6-11,19H,4-5,12-15,21H2,(H,22,24);2*1H
InChIKeyISSRQEFUCIWKTF-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;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-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 119867241
2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669979
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
(2S)-2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119867271
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
CID 119897800
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride (CID 119835745) is 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride?
The InChIKey is ISSRQEFUCIWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c21-19(18-6-2-1-3-7-18)20(24)22-14-16-8-10-17(11-9-16)15-23-12-4-5-13-23;;/h1-3,6-11,19H,4-5,12-15,21H2,(H,22,24);2*1H.
What are the key properties of 2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride?
2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 3.44, 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-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119835745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).