2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride

C25H26ClN3O — CID 68727133

IUPAC2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccc(C#N)cc2)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C25H25N3O.ClH/c1-18-8-13-23(16-19(18)2)28(15-14-20-9-11-21(17-26)12-10-20)25(29)24(27)22-6-4-3-5-7-22;/h3-13,16,24H,14-15,27H2,1-2H3;1H
InChIKeyBHKQVYZXEAOKLQ-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.87
Rot. Bonds6

About 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride

2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride (PubChem CID 68727133) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
PubChem CID68727133
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC Name2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccc(C#N)cc2)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C25H25N3O.ClH/c1-18-8-13-23(16-19(18)2)28(15-14-20-9-11-21(17-26)12-10-20)25(29)24(27)22-6-4-3-5-7-22;/h3-13,16,24H,14-15,27H2,1-2H3;1H
InChIKeyBHKQVYZXEAOKLQ-UHFFFAOYSA-N
XLogP4.87
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1'-Biphenyl)-2-yl-N-((4-cyanophenyl)methyl)-1-piperazinehexanamide
CID 25107716
2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645961
Glycyl-N-2-naphthalenyl-L-phenylalaninamide
CID 152423
N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}-3-phenylpropanamide
CID 10972182
4-Cyano-N-(2-(ethyl(m-tolyl)amino)ethyl)benzamide
CID 9092269
4-Methyl-2-(4''''-piperazin-1-yl-biphenyl-3-ylamino)-pentanoic acid cyanomethyl-amide
CID 10179450
3-((1-[(4-([(3S)-3-Methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinyl)amino)benzonitrile
CID 15984939
4-(4-cyanophenyl)-N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
CID 21939940
6-Methyl-biphenyl-3,4''-dicarboxylic acid 4''-[(3-cyano-phenyl)-amide] 3-cyclopropylamide
CID 44578498
3-Amino-1,4-di-p-tolyl-azetidin-2-one
CID 23602062
Phenylalanine beta-naphthylamide
CID 102477
N-(3,4-Dimethyl-phenyl)-2-(4-phenylacetylamino-piperidin-1-yl)-acetamide
CID 3220753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride (CID 68727133) is 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride is Cc1ccc(N(CCc2ccc(C#N)cc2)C(=O)C(N)c2ccccc2)cc1C.Cl.
What is the InChIKey of 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
The InChIKey is BHKQVYZXEAOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.ClH/c1-18-8-13-23(16-19(18)2)28(15-14-20-9-11-21(17-26)12-10-20)25(29)24(27)22-6-4-3-5-7-22;/h3-13,16,24H,14-15,27H2,1-2H3;1H.
What are the key properties of 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride?
2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride has a molecular weight of 419.96 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 68727133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).