N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide

C15H18N2O2 — CID 99777899

IUPACN-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N[C@@H]1CC[C@@H](C#N)C1
InChIInChI=1S/C15H18N2O2/c1-10-3-6-14(19-2)13(7-10)15(18)17-12-5-4-11(8-12)9-16/h3,6-7,11-12H,4-5,8H2,1-2H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyPRQGLPWSRPLGND-VXGBXAGGSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds3

About N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide

N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide (PubChem CID 99777899) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide
PubChem CID99777899
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N[C@@H]1CC[C@@H](C#N)C1
InChIInChI=1S/C15H18N2O2/c1-10-3-6-14(19-2)13(7-10)15(18)17-12-5-4-11(8-12)9-16/h3,6-7,11-12H,4-5,8H2,1-2H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyPRQGLPWSRPLGND-VXGBXAGGSA-N
XLogP2.43
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
CID 70845921
2-methoxy-5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)benzamide
CID 112533113
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209113

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide (CID 99777899) is N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)N[C@@H]1CC[C@@H](C#N)C1.
What is the InChIKey of N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide?
The InChIKey is PRQGLPWSRPLGND-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-3-6-14(19-2)13(7-10)15(18)17-12-5-4-11(8-12)9-16/h3,6-7,11-12H,4-5,8H2,1-2H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide?
N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 99777899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).