N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide

C17H18N2O5 — CID 86925249

IUPACN-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-4-11-5-6-12(9-15(11)19(21)22)18-17(20)14-10-13(23-2)7-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyWIOJCNSFJIONPR-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.43
Rot. Bonds6

About N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide

N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide (PubChem CID 86925249) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
PubChem CID86925249
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O5/c1-4-11-5-6-12(9-15(11)19(21)22)18-17(20)14-10-13(23-2)7-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyWIOJCNSFJIONPR-UHFFFAOYSA-N
XLogP3.43
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.43
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'}

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Related Compounds

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 5304694
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
N-(4-ethyl-3-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785663
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide (CID 86925249) is N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide is CCc1ccc(NC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide?
The InChIKey is WIOJCNSFJIONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-4-11-5-6-12(9-15(11)19(21)22)18-17(20)14-10-13(23-2)7-8-16(14)24-3/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide?
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide has a molecular weight of 330.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 86925249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).