4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide

C21H27N3O2 — CID 60549246

IUPAC4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C21H27N3O2/c1-24(18-7-3-2-4-8-18)19(25)16-9-11-17(12-10-16)23-20(26)21(15-22)13-5-6-14-21/h9-12,18H,2-8,13-14H2,1H3,(H,23,26)
InChIKeyGFUGIONZOSZOTG-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.11
Rot. Bonds4

About 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide

4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide (PubChem CID 60549246) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide
PubChem CID60549246
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C21H27N3O2/c1-24(18-7-3-2-4-8-18)19(25)16-9-11-17(12-10-16)23-20(26)21(15-22)13-5-6-14-21/h9-12,18H,2-8,13-14H2,1H3,(H,23,26)
InChIKeyGFUGIONZOSZOTG-UHFFFAOYSA-N
XLogP4.11
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823
N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
4-[(1-aminocyclopentanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 119890910
1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813984
1-cyano-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813987
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide (CID 60549246) is 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1)C1CCCCC1.
What is the InChIKey of 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide?
The InChIKey is GFUGIONZOSZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24(18-7-3-2-4-8-18)19(25)16-9-11-17(12-10-16)23-20(26)21(15-22)13-5-6-14-21/h9-12,18H,2-8,13-14H2,1H3,(H,23,26).
What are the key properties of 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide?
4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 60549246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).