2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride

C17H23Cl2N3O — CID 120670650

IUPAC2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N(C)CCc2ccncc2)cc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-13-3-5-15(6-4-13)16(18)17(21)20(2)12-9-14-7-10-19-11-8-14;;/h3-8,10-11,16H,9,12,18H2,1-2H3;2*1H
InChIKeyHKJZSRZSVNJGBX-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride

2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride (PubChem CID 120670650) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
PubChem CID120670650
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N(C)CCc2ccncc2)cc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-13-3-5-15(6-4-13)16(18)17(21)20(2)12-9-14-7-10-19-11-8-14;;/h3-8,10-11,16H,9,12,18H2,1-2H3;2*1H
InChIKeyHKJZSRZSVNJGBX-UHFFFAOYSA-N
XLogP2.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668214
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CID 106151263
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
2-amino-N-methyl-2-(4-methylphenyl)-N-pentylacetamide
CID 106312073
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-phenylmethoxyethyl)acetamide;hydrochloride
CID 120669222
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
CID 119958504
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312421
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668393
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
methyl (2S)-2-amino-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoate;hydrochloride
CID 168741293

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride (CID 120670650) is 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)N(C)CCc2ccncc2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride?
The InChIKey is HKJZSRZSVNJGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-13-3-5-15(6-4-13)16(18)17(21)20(2)12-9-14-7-10-19-11-8-14;;/h3-8,10-11,16H,9,12,18H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride?
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 120670650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).