2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide

C18H19N3O — CID 47077678

IUPAC2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1ccccc1C#N
InChIInChI=1S/C18H19N3O/c1-21(2)18(22)11-14-7-5-6-10-17(14)20-13-16-9-4-3-8-15(16)12-19/h3-10,20H,11,13H2,1-2H3
InChIKeyBNMNSZSCGVEDOV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.80
Rot. Bonds5

About 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide

2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 47077678) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide
PubChem CID47077678
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1ccccc1C#N
InChIInChI=1S/C18H19N3O/c1-21(2)18(22)11-14-7-5-6-10-17(14)20-13-16-9-4-3-8-15(16)12-19/h3-10,20H,11,13H2,1-2H3
InChIKeyBNMNSZSCGVEDOV-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981770
2-[(2-cyanophenyl)methylamino]benzoic acid
CID 107935866
2-[2-[(2-cyanoanilino)methyl]phenyl]acetic acid
CID 81317628
2-[(2,3-dimethylanilino)methyl]benzonitrile
CID 28585691
2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile
CID 107936000
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide
CID 71913478
2-[(cyanomethylamino)methyl]benzonitrile
CID 46942219
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
N,N-dimethyl-2-[2-[[2-oxo-2-(propylamino)ethyl]amino]phenyl]acetamide
CID 47409577
2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61317436
4-[(2-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843617

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide (CID 47077678) is 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NCc1ccccc1C#N.
What is the InChIKey of 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is BNMNSZSCGVEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(2)18(22)11-14-7-5-6-10-17(14)20-13-16-9-4-3-8-15(16)12-19/h3-10,20H,11,13H2,1-2H3.
What are the key properties of 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide?
2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 293.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 47077678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).