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

C22H25N3O — CID 51170595

IUPACN-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
SMILESN#CC1(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCCC1
InChIInChI=1S/C22H25N3O/c23-18-22(13-7-8-14-22)24-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-17H2,(H,24,26)
InChIKeyOBLRHSAIAWOKQT-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.64
Rot. Bonds7

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

N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide (PubChem CID 51170595) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
PubChem CID51170595
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
SMILESN#CC1(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCCC1
InChIInChI=1S/C22H25N3O/c23-18-22(13-7-8-14-22)24-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-17H2,(H,24,26)
InChIKeyOBLRHSAIAWOKQT-UHFFFAOYSA-N
XLogP3.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
CID 111432016
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 51097262
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
2-(2-benzylanilino)-N-(1-cyanocyclopentyl)acetamide
CID 33163851
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
CID 18270422
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide (CID 51170595) is N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide is N#CC1(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide?
The InChIKey is OBLRHSAIAWOKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-18-22(13-7-8-14-22)24-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-17H2,(H,24,26).
What are the key properties of N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide?
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide is sourced from PubChem (CID 51170595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).