N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide

C19H19N3O2 — CID 75416439

IUPACN-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H19N3O2/c1-14-5-3-4-6-16(14)13-22(2)19(24)18(23)21-17-9-7-15(8-10-17)11-12-20/h3-10H,11,13H2,1-2H3,(H,21,23)
InChIKeyCZMWSWNYNIDLEL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.66
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide

N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide (PubChem CID 75416439) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
PubChem CID75416439
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H19N3O2/c1-14-5-3-4-6-16(14)13-22(2)19(24)18(23)21-17-9-7-15(8-10-17)11-12-20/h3-10H,11,13H2,1-2H3,(H,21,23)
InChIKeyCZMWSWNYNIDLEL-UHFFFAOYSA-N
XLogP2.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 43575591
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 61411474
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
CID 104916745
4-[[4-(cyanomethyl)phenyl]carbamoyl-methylamino]butanoic acid
CID 62301697
2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
CID 62301838
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide (CID 75416439) is N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide is Cc1ccccc1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
The InChIKey is CZMWSWNYNIDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-5-3-4-6-16(14)13-22(2)19(24)18(23)21-17-9-7-15(8-10-17)11-12-20/h3-10H,11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide has a molecular weight of 321.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 75416439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).