N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide

C18H19N3O — CID 60617067

IUPACN-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
SMILESCN(CC#N)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-20(13-12-19)15-18(22)21(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11H,13-15H2,1H3
InChIKeyIJJLIGMSEIZRNP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.68
Rot. Bonds6

About N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide

N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide (PubChem CID 60617067) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
PubChem CID60617067
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
SMILESCN(CC#N)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-20(13-12-19)15-18(22)21(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11H,13-15H2,1H3
InChIKeyIJJLIGMSEIZRNP-UHFFFAOYSA-N
XLogP2.68
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
CID 23507484
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
N-(cyanomethyl)-2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylacetamide
CID 104554133
N-(cyanomethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016168
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688
N-(cyanomethyl)-2-[ethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 60685943

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide (CID 60617067) is N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide is CN(CC#N)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide?
The InChIKey is IJJLIGMSEIZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20(13-12-19)15-18(22)21(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11H,13-15H2,1H3.
What are the key properties of N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide?
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide has a molecular weight of 293.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide is sourced from PubChem (CID 60617067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).