N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide

C15H18N2O3 — CID 60704649

IUPACN-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C#N)CCCC2)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-19-11-5-6-12(13(9-11)20-2)14(18)17-15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWTERCBNQWBLWCL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.27
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide

N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide (PubChem CID 60704649) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
PubChem CID60704649
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C#N)CCCC2)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-19-11-5-6-12(13(9-11)20-2)14(18)17-15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyWTERCBNQWBLWCL-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
CID 60967528
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102883092
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-5-methoxybenzoate
CID 47077797
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8833510

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide (CID 60704649) is N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2(C#N)CCCC2)c(OC)c1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide?
The InChIKey is WTERCBNQWBLWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-11-5-6-12(13(9-11)20-2)14(18)17-15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide?
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 60704649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).