5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide

C15H22N2O7 — CID 24563160

IUPAC5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
SMILESCOCCCNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O7/c1-21-6-4-5-16-15(18)11-9-13(23-3)14(24-8-7-22-2)10-12(11)17(19)20/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyRXZSNPFHIRZGFP-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.39
Rot. Bonds11

About 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide

5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide (PubChem CID 24563160) has the molecular formula C15H22N2O7 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
PubChem CID24563160
Molecular FormulaC15H22N2O7
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
SMILESCOCCCNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O7/c1-21-6-4-5-16-15(18)11-9-13(23-3)14(24-8-7-22-2)10-12(11)17(19)20/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyRXZSNPFHIRZGFP-UHFFFAOYSA-N
XLogP1.39
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-N-[3-(methylamino)propyl]-2-nitrobenzamide
CID 43808791
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-(3-aminobutyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide;hydrochloride
CID 119496680
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55742282
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[2-(2-nitroanilino)ethyl]benzamide
CID 46520903
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
methyl 4-methoxy-5-[3-[(4-methoxybenzoyl)amino]propoxy]-2-nitrobenzoate
CID 164580210
2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466171
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535264
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide?
The IUPAC name of 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide (CID 24563160) is 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide.
What is the SMILES notation for 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide?
The canonical SMILES for 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide is COCCCNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-].
What is the InChIKey of 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide?
The InChIKey is RXZSNPFHIRZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7/c1-21-6-4-5-16-15(18)11-9-13(23-3)14(24-8-7-22-2)10-12(11)17(19)20/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide?
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide has a molecular weight of 342.35 g/mol, XLogP of 1.39, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide is sourced from PubChem (CID 24563160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).