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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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).