2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide

C17H20N4O5 — CID 9104576

IUPAC2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C17H20N4O5/c1-26-16-5-3-2-4-14(16)20-17(23)11-19-15-10-12(21(24)25)6-7-13(15)18-8-9-22/h2-7,10,18-19,22H,8-9,11H2,1H3,(H,20,23)
InChIKeyUYXUBXKDYXYQTP-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.06
Rot. Bonds9

About 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide

2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide (PubChem CID 9104576) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
PubChem CID9104576
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C17H20N4O5/c1-26-16-5-3-2-4-14(16)20-17(23)11-19-15-10-12(21(24)25)6-7-13(15)18-8-9-22/h2-7,10,18-19,22H,8-9,11H2,1H3,(H,20,23)
InChIKeyUYXUBXKDYXYQTP-UHFFFAOYSA-N
XLogP2.06
TPSA125.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
N-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 9104529
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 31670165
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide (CID 9104576) is 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is UYXUBXKDYXYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-26-16-5-3-2-4-14(16)20-17(23)11-19-15-10-12(21(24)25)6-7-13(15)18-8-9-22/h2-7,10,18-19,22H,8-9,11H2,1H3,(H,20,23).
What are the key properties of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide?
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.06, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9104576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).