2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide

C17H21N3O2 — CID 108923367

IUPAC2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(CNC(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H21N3O2/c18-10-9-16(21)20-15-7-5-14(6-8-15)12-19-17(22)11-13-3-1-2-4-13/h5-8,13H,1-4,9,11-12H2,(H,19,22)(H,20,21)
InChIKeyJVFDIAZABOPFJG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.74
Rot. Bonds6

About 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide

2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide (PubChem CID 108923367) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
PubChem CID108923367
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(CNC(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H21N3O2/c18-10-9-16(21)20-15-7-5-14(6-8-15)12-19-17(22)11-13-3-1-2-4-13/h5-8,13H,1-4,9,11-12H2,(H,19,22)(H,20,21)
InChIKeyJVFDIAZABOPFJG-UHFFFAOYSA-N
XLogP2.74
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933910
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108924219
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]naphthalene-1-carboxamide
CID 108923199
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide (CID 108923367) is 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide is N#CCC(=O)Nc1ccc(CNC(=O)CC2CCCC2)cc1.
What is the InChIKey of 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide?
The InChIKey is JVFDIAZABOPFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-10-9-16(21)20-15-7-5-14(6-8-15)12-19-17(22)11-13-3-1-2-4-13/h5-8,13H,1-4,9,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide?
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).