N-(1-cyanocycloheptyl)-3-methoxybenzamide

C16H20N2O2 — CID 60967258

IUPACN-(1-cyanocycloheptyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(C#N)CCCCCC2)c1
InChIInChI=1S/C16H20N2O2/c1-20-14-8-6-7-13(11-14)15(19)18-16(12-17)9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyXWRYKNWXWZGORS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.04
Rot. Bonds3

About N-(1-cyanocycloheptyl)-3-methoxybenzamide

N-(1-cyanocycloheptyl)-3-methoxybenzamide (PubChem CID 60967258) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3-methoxybenzamide
PubChem CID60967258
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-cyanocycloheptyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(C#N)CCCCCC2)c1
InChIInChI=1S/C16H20N2O2/c1-20-14-8-6-7-13(11-14)15(19)18-16(12-17)9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyXWRYKNWXWZGORS-UHFFFAOYSA-N
XLogP3.04
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 87012107

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3-methoxybenzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3-methoxybenzamide (CID 60967258) is N-(1-cyanocycloheptyl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3-methoxybenzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3-methoxybenzamide is COc1cccc(C(=O)NC2(C#N)CCCCCC2)c1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3-methoxybenzamide?
The InChIKey is XWRYKNWXWZGORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-14-8-6-7-13(11-14)15(19)18-16(12-17)9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of N-(1-cyanocycloheptyl)-3-methoxybenzamide?
N-(1-cyanocycloheptyl)-3-methoxybenzamide has a molecular weight of 272.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3-methoxybenzamide is sourced from PubChem (CID 60967258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).