N-cyclopentyloxy-2-methoxy-6-nitrobenzamide

C13H16N2O5 — CID 83235493

IUPACN-cyclopentyloxy-2-methoxy-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NOC1CCCC1
InChIInChI=1S/C13H16N2O5/c1-19-11-8-4-7-10(15(17)18)12(11)13(16)14-20-9-5-2-3-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyALCBHCHFJQWCSE-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.21
Rot. Bonds5

About N-cyclopentyloxy-2-methoxy-6-nitrobenzamide

N-cyclopentyloxy-2-methoxy-6-nitrobenzamide (PubChem CID 83235493) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-cyclopentyloxy-2-methoxy-6-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-methoxy-6-nitrobenzamide
PubChem CID83235493
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC NameN-cyclopentyloxy-2-methoxy-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NOC1CCCC1
InChIInChI=1S/C13H16N2O5/c1-19-11-8-4-7-10(15(17)18)12(11)13(16)14-20-9-5-2-3-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyALCBHCHFJQWCSE-UHFFFAOYSA-N
XLogP2.21
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopentyloxy-2-methoxy-6-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyloxy-2,6-dimethoxybenzamide
CID 83216402
2-cyclohexyloxy-6-nitrobenzoic acid
CID 107341200
2-methoxy-6-nitro-N-(oxetan-3-yl)benzamide
CID 81420832
N-cyclopentyloxy-4-methylsulfanyl-3-nitrobenzamide
CID 83202866
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
(3-hydroxypiperidin-1-yl)-(2-methoxy-6-nitrophenyl)methanone
CID 81421108
2,6-dichloro-N-cyclopentyloxybenzamide
CID 83216790
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
CID 21102223
methyl 2-[(2-methoxy-6-nitrobenzoyl)-methylamino]acetate
CID 81414362

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-methoxy-6-nitrobenzamide?
The IUPAC name of N-cyclopentyloxy-2-methoxy-6-nitrobenzamide (CID 83235493) is N-cyclopentyloxy-2-methoxy-6-nitrobenzamide.
What is the SMILES notation for N-cyclopentyloxy-2-methoxy-6-nitrobenzamide?
The canonical SMILES for N-cyclopentyloxy-2-methoxy-6-nitrobenzamide is COc1cccc([N+](=O)[O-])c1C(=O)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-2-methoxy-6-nitrobenzamide?
The InChIKey is ALCBHCHFJQWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-11-8-4-7-10(15(17)18)12(11)13(16)14-20-9-5-2-3-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyloxy-2-methoxy-6-nitrobenzamide?
N-cyclopentyloxy-2-methoxy-6-nitrobenzamide has a molecular weight of 280.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-methoxy-6-nitrobenzamide is sourced from PubChem (CID 83235493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).