N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide

C15H20N2O4 — CID 115880925

IUPACN-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H20N2O4/c1-15(2)7-6-10(9-15)16-14(18)12-8-11(17(19)20)4-5-13(12)21-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyGYNWDSRRRYYKLJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.91
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide

N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide (PubChem CID 115880925) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
PubChem CID115880925
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H20N2O4/c1-15(2)7-6-10(9-15)16-14(18)12-8-11(17(19)20)4-5-13(12)21-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyGYNWDSRRRYYKLJ-UHFFFAOYSA-N
XLogP2.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
N-(3,3-dimethylcyclopentyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297633
N-[(3R)-1-ethylpiperidin-1-ium-3-yl]-2-methoxy-5-nitrobenzamide
CID 6947735
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
N-[1-(hydroxymethyl)cyclopentyl]-2-methoxy-5-nitrobenzamide
CID 62518781
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-nitrobenzamide
CID 18115291
N-(3,3-dimethylcyclopentyl)-2-(4-nitrophenoxy)acetamide
CID 115880765
2-butoxy-N-cyclohexyl-5-nitrobenzamide
CID 139678176
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide (CID 115880925) is N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is GYNWDSRRRYYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)7-6-10(9-15)16-14(18)12-8-11(17(19)20)4-5-13(12)21-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide?
N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 115880925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).