2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

C17H19N3O5 — CID 134008031

IUPAC2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C17H19N3O5/c1-3-25-14-7-4-12(5-8-14)18-11-17(21)19-15-9-6-13(20(22)23)10-16(15)24-2/h4-10,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyQGPOJXMTYUAFPK-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.05
Rot. Bonds8

About 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 134008031) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID134008031
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C17H19N3O5/c1-3-25-14-7-4-12(5-8-14)18-11-17(21)19-15-9-6-13(20(22)23)10-16(15)24-2/h4-10,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyQGPOJXMTYUAFPK-UHFFFAOYSA-N
XLogP3.05
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 4792980
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37231406
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 134008031) is 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is CCOc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is QGPOJXMTYUAFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-25-14-7-4-12(5-8-14)18-11-17(21)19-15-9-6-13(20(22)23)10-16(15)24-2/h4-10,18H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 134008031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).