3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide

C18H20N2O5 — CID 3276495

IUPAC3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC
InChIInChI=1S/C18H20N2O5/c1-3-11-25-16-10-5-13(12-17(16)24-4-2)18(21)19-14-6-8-15(9-7-14)20(22)23/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyJLGLMPMIDBEXTL-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.03
Rot. Bonds8

About 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide

3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide (PubChem CID 3276495) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
PubChem CID3276495
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC
InChIInChI=1S/C18H20N2O5/c1-3-11-25-16-10-5-13(12-17(16)24-4-2)18(21)19-14-6-8-15(9-7-14)20(22)23/h5-10,12H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyJLGLMPMIDBEXTL-UHFFFAOYSA-N
XLogP4.03
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.03
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

3-ethoxy-N'-(4-nitrobenzoyl)-4-propoxybenzohydrazide
CID 9314736
[2-(4-nitroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556829
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide (CID 3276495) is 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide?
The InChIKey is JLGLMPMIDBEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-11-25-16-10-5-13(12-17(16)24-4-2)18(21)19-14-6-8-15(9-7-14)20(22)23/h5-10,12H,3-4,11H2,1-2H3,(H,19,21).
What are the key properties of 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide?
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide has a molecular weight of 344.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide is sourced from PubChem (CID 3276495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).