2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride

C22H31Cl2N3O — CID 120596067

IUPAC2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C(C)(N)c2ccccc2)N2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-10-12-18(13-11-17)20(25-14-6-7-15-25)16-24-21(26)22(2,23)19-8-4-3-5-9-19;;/h3-5,8-13,20H,6-7,14-16,23H2,1-2H3,(H,24,26);2*1H
InChIKeyIIZHCZFGUXUQSH-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.97
Rot. Bonds6

About 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120596067) has the molecular formula C22H31Cl2N3O and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120596067
Molecular FormulaC22H31Cl2N3O
Molecular Weight424.42 g/mol
Exact Mass423.18
IUPAC Name2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C(C)(N)c2ccccc2)N2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C22H29N3O.2ClH/c1-17-10-12-18(13-11-17)20(25-14-6-7-15-25)16-24-21(26)22(2,23)19-8-4-3-5-9-19;;/h3-5,8-13,20H,6-7,14-16,23H2,1-2H3,(H,24,26);2*1H
InChIKeyIIZHCZFGUXUQSH-UHFFFAOYSA-N
XLogP3.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
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CID 34952082
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
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N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
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1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 7384743

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride (CID 120596067) is 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride is Cc1ccc(C(CNC(=O)C(C)(N)c2ccccc2)N2CCCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is IIZHCZFGUXUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.2ClH/c1-17-10-12-18(13-11-17)20(25-14-6-7-15-25)16-24-21(26)22(2,23)19-8-4-3-5-9-19;;/h3-5,8-13,20H,6-7,14-16,23H2,1-2H3,(H,24,26);2*1H.
What are the key properties of 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120596067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).