N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide

C17H23N3O — CID 60966830

IUPACN-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(C#N)CCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c1-20(2)15-9-7-14(8-10-15)16(21)19-17(13-18)11-5-3-4-6-12-17/h7-10H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyYZTQLYGHRUCZSG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.10
Rot. Bonds3

About N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide

N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide (PubChem CID 60966830) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
PubChem CID60966830
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(C#N)CCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c1-20(2)15-9-7-14(8-10-15)16(21)19-17(13-18)11-5-3-4-6-12-17/h7-10H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyYZTQLYGHRUCZSG-UHFFFAOYSA-N
XLogP3.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
CID 60665986
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 113272407

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide (CID 60966830) is N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2(C#N)CCCCCC2)cc1.
What is the InChIKey of N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide?
The InChIKey is YZTQLYGHRUCZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(2)15-9-7-14(8-10-15)16(21)19-17(13-18)11-5-3-4-6-12-17/h7-10H,3-6,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide?
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide has a molecular weight of 285.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 60966830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).