5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide

C19H22N2O6 — CID 55745361

IUPAC5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
SMILESCCOc1cccc(CNC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O6/c1-4-26-14-8-6-7-13(9-14)12-20-19(22)15-10-18(27-5-2)17(25-3)11-16(15)21(23)24/h6-11H,4-5,12H2,1-3H3,(H,20,22)
InChIKeyPPSUOZLGEIASMK-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.33
Rot. Bonds9

About 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide

5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide (PubChem CID 55745361) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound Name5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
PubChem CID55745361
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
SMILESCCOc1cccc(CNC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O6/c1-4-26-14-8-6-7-13(9-14)12-20-19(22)15-10-18(27-5-2)17(25-3)11-16(15)21(23)24/h6-11H,4-5,12H2,1-3H3,(H,20,22)
InChIKeyPPSUOZLGEIASMK-UHFFFAOYSA-N
XLogP3.33
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-chlorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 9402079
4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
CID 55539218
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 26953131
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
5-ethoxy-4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 16962072
4-ethoxy-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-5-methoxy-2-nitrobenzamide
CID 55746037
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
4-ethoxy-5-methoxy-2-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 42044515
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777
N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55795890
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide?
The IUPAC name of 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide (CID 55745361) is 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide?
The canonical SMILES for 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide is CCOc1cccc(CNC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])c1.
What is the InChIKey of 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide?
The InChIKey is PPSUOZLGEIASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-26-14-8-6-7-13(9-14)12-20-19(22)15-10-18(27-5-2)17(25-3)11-16(15)21(23)24/h6-11H,4-5,12H2,1-3H3,(H,20,22).
What are the key properties of 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide?
5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide has a molecular weight of 374.39 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 55745361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).