2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide

C14H19N3O — CID 54942559

IUPAC2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)8-17(10-14(16)18)9-13-5-3-12(7-15)4-6-13/h3-6,11H,8-10H2,1-2H3,(H2,16,18)
InChIKeyDYCCUDTZKJXHOX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds6

About 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide

2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 54942559) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID54942559
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)8-17(10-14(16)18)9-13-5-3-12(7-15)4-6-13/h3-6,11H,8-10H2,1-2H3,(H2,16,18)
InChIKeyDYCCUDTZKJXHOX-UHFFFAOYSA-N
XLogP1.50
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76912189
4-[[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]methyl]-2-fluorobenzoic acid
CID 106699221
3-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82330005
2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
CID 60875913
2-[(4-cyanophenyl)methyl-methylamino]-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 87016437
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945
2-[2-bromo-4-cyano-N-(2-methylpropyl)anilino]acetamide
CID 82798023
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 86866343
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
2-[(2-amino-2-oxoethyl)-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]acetamide
CID 62921910

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide (CID 54942559) is 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is DYCCUDTZKJXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)8-17(10-14(16)18)9-13-5-3-12(7-15)4-6-13/h3-6,11H,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 54942559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).