2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide

C21H23N3O — CID 33163851

IUPAC2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CNc2ccccc2Cc2ccccc2)CCCC1
InChIInChI=1S/C21H23N3O/c22-16-21(12-6-7-13-21)24-20(25)15-23-19-11-5-4-10-18(19)14-17-8-2-1-3-9-17/h1-5,8-11,23H,6-7,12-15H2,(H,24,25)
InChIKeySBIOVGMXXGOFHS-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.64
Rot. Bonds6

About 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide

2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide (PubChem CID 33163851) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
PubChem CID33163851
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CNc2ccccc2Cc2ccccc2)CCCC1
InChIInChI=1S/C21H23N3O/c22-16-21(12-6-7-13-21)24-20(25)15-23-19-11-5-4-10-18(19)14-17-8-2-1-3-9-17/h1-5,8-11,23H,6-7,12-15H2,(H,24,25)
InChIKeySBIOVGMXXGOFHS-UHFFFAOYSA-N
XLogP3.64
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47064203
N-(1-cyanocyclopentyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 47064157
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
CID 126841359
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CID 32908656
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
N-(1-cyanocyclopentyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542850
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 46534675
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
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CID 110473191

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide (CID 33163851) is 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CNc2ccccc2Cc2ccccc2)CCCC1.
What is the InChIKey of 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is SBIOVGMXXGOFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-16-21(12-6-7-13-21)24-20(25)15-23-19-11-5-4-10-18(19)14-17-8-2-1-3-9-17/h1-5,8-11,23H,6-7,12-15H2,(H,24,25).
What are the key properties of 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide?
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 33163851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).