2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride

C20H27Cl2N3O — CID 120669772

IUPAC2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2CCN(c3ccccc3)C2)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-7-9-17(10-8-15)19(21)20(24)22-13-16-11-12-23(14-16)18-5-3-2-4-6-18;;/h2-10,16,19H,11-14,21H2,1H3,(H,22,24);2*1H
InChIKeyMWEGEEZKMVSAOG-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.48
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride (PubChem CID 120669772) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
PubChem CID120669772
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2CCN(c3ccccc3)C2)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/c1-15-7-9-17(10-8-15)19(21)20(24)22-13-16-11-12-23(14-16)18-5-3-2-4-6-18;;/h2-10,16,19H,11-14,21H2,1H3,(H,22,24);2*1H
InChIKeyMWEGEEZKMVSAOG-UHFFFAOYSA-N
XLogP3.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)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-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670556
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 119860603
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(4-methylphenyl)acetamide
CID 120670049
2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119898718
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120669768
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151685
2-(2-bromo-4-methylphenoxy)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55853527
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride (CID 120669772) is 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCC2CCN(c3ccccc3)C2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
The InChIKey is MWEGEEZKMVSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/c1-15-7-9-17(10-8-15)19(21)20(24)22-13-16-11-12-23(14-16)18-5-3-2-4-6-18;;/h2-10,16,19H,11-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120669772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).