2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide

C14H19N3O — CID 60968945

IUPAC2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-4-17(11-14(18)16(2)3)10-13-7-5-12(9-15)6-8-13/h5-8H,4,10-11H2,1-3H3
InChIKeyLBTPETPTOQKRNA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.47
Rot. Bonds5

About 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide

2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 60968945) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
PubChem CID60968945
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-4-17(11-14(18)16(2)3)10-13-7-5-12(9-15)6-8-13/h5-8H,4,10-11H2,1-3H3
InChIKeyLBTPETPTOQKRNA-UHFFFAOYSA-N
XLogP1.47
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N,N-dimethylacetamide
CID 43216444
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 82978813
4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 133384325
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide (CID 60968945) is 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is LBTPETPTOQKRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17(11-14(18)16(2)3)10-13-7-5-12(9-15)6-8-13/h5-8H,4,10-11H2,1-3H3.
What are the key properties of 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide?
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60968945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).