N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide

C15H18N2O3 — CID 62960890

IUPACN-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCCC1C#N
InChIInChI=1S/C15H18N2O3/c1-19-12-7-4-8-13(20-2)14(12)15(18)17-11-6-3-5-10(11)9-16/h4,7-8,10-11H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyJXAHALZEPIIUQP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.13
Rot. Bonds4

About N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide

N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide (PubChem CID 62960890) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
PubChem CID62960890
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCCC1C#N
InChIInChI=1S/C15H18N2O3/c1-19-12-7-4-8-13(20-2)14(12)15(18)17-11-6-3-5-10(11)9-16/h4,7-8,10-11H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyJXAHALZEPIIUQP-UHFFFAOYSA-N
XLogP2.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
CID 62961274
N-(2-cyanocyclopentyl)-5-methylfuran-2-carboxamide
CID 62961798
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
CID 62963070
1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
CID 97347731
2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
CID 144829887

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide (CID 62960890) is N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide?
The InChIKey is JXAHALZEPIIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-7-4-8-13(20-2)14(12)15(18)17-11-6-3-5-10(11)9-16/h4,7-8,10-11H,3,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide?
N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 62960890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).