2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide

C15H21N3O — CID 60693832

IUPAC2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)15(19)12-17(3)11-14-9-7-6-8-13(14)10-16/h6-9H,4-5,11-12H2,1-3H3
InChIKeyJHTUWXRRXYEDAU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.86
Rot. Bonds6

About 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide

2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide (PubChem CID 60693832) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
PubChem CID60693832
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)15(19)12-17(3)11-14-9-7-6-8-13(14)10-16/h6-9H,4-5,11-12H2,1-3H3
InChIKeyJHTUWXRRXYEDAU-UHFFFAOYSA-N
XLogP1.86
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-[(1-cyanoindolizin-2-yl)methyl-methylamino]-N,N-diethylacetamide
CID 51075149
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 103758312
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 102665377
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
CID 62686462
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide (CID 60693832) is 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is JHTUWXRRXYEDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(5-2)15(19)12-17(3)11-14-9-7-6-8-13(14)10-16/h6-9H,4-5,11-12H2,1-3H3.
What are the key properties of 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide?
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 60693832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).