2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide

C18H19N3O — CID 86931145

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O/c1-14-4-3-5-17(10-14)20-18(22)13-21(2)12-16-8-6-15(11-19)7-9-16/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyIZWKHHXJWGJEJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.94
Rot. Bonds5

About 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide (PubChem CID 86931145) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
PubChem CID86931145
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O/c1-14-4-3-5-17(10-14)20-18(22)13-21(2)12-16-8-6-15(11-19)7-9-16/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyIZWKHHXJWGJEJK-UHFFFAOYSA-N
XLogP2.94
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 144587041
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)acetamide
CID 8745698
2-[(4-cyanophenyl)methyl-methylamino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55628505
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
CID 60977090
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide (CID 86931145) is 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is IZWKHHXJWGJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-4-3-5-17(10-14)20-18(22)13-21(2)12-16-8-6-15(11-19)7-9-16/h3-10H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 86931145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).