2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride

C23H26ClN3O — CID 66637635

IUPAC2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccccn2)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C23H25N3O.ClH/c1-17-11-12-21(16-18(17)2)26(15-13-20-10-6-7-14-25-20)23(27)22(24)19-8-4-3-5-9-19;/h3-12,14,16,22H,13,15,24H2,1-2H3;1H
InChIKeyWVNVRWOYJYQPCK-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.40
Rot. Bonds6

About 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride

2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride (PubChem CID 66637635) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
PubChem CID66637635
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccccn2)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C23H25N3O.ClH/c1-17-11-12-21(16-18(17)2)26(15-13-20-10-6-7-14-25-20)23(27)22(24)19-8-4-3-5-9-19;/h3-12,14,16,22H,13,15,24H2,1-2H3;1H
InChIKeyWVNVRWOYJYQPCK-UHFFFAOYSA-N
XLogP4.40
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
CID 44546437
N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143913137
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
CID 68933647
2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
CID 68727133
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 25182506
2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 68933496
2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 68727745
(2S)-2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2,3,6-trifluoro-4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 86626962
[(1S)-2-[3,4-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]anilino]-2-oxo-1-phenylethyl]carbamic acid
CID 174614053
2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide
CID 76569012
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 68725094

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride (CID 66637635) is 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride is Cc1ccc(N(CCc2ccccn2)C(=O)C(N)c2ccccc2)cc1C.Cl.
What is the InChIKey of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
The InChIKey is WVNVRWOYJYQPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.ClH/c1-17-11-12-21(16-18(17)2)26(15-13-20-10-6-7-14-25-20)23(27)22(24)19-8-4-3-5-9-19;/h3-12,14,16,22H,13,15,24H2,1-2H3;1H.
What are the key properties of 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride?
2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 66637635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).