2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide

C17H19N5O6 — CID 24510725

IUPAC2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C17H19N5O6/c1-11-8-12(21(25)26)2-4-14(11)20-17(24)10-19-16-9-13(22(27)28)3-5-15(16)18-6-7-23/h2-5,8-9,18-19,23H,6-7,10H2,1H3,(H,20,24)
InChIKeyXQBARAKPQVUEFB-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.27
Rot. Bonds9

About 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide

2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 24510725) has the molecular formula C17H19N5O6 and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID24510725
Molecular FormulaC17H19N5O6
Molecular Weight389.37 g/mol
Exact Mass389.13
IUPAC Name2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO
InChIInChI=1S/C17H19N5O6/c1-11-8-12(21(25)26)2-4-14(11)20-17(24)10-19-16-9-13(22(27)28)3-5-15(16)18-6-7-23/h2-5,8-9,18-19,23H,6-7,10H2,1H3,(H,20,24)
InChIKeyXQBARAKPQVUEFB-UHFFFAOYSA-N
XLogP2.27
TPSA159.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(2,5-dichlorophenyl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 9104529
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[2-(2-hydroxyethylamino)-5-nitroanilino]acetamide
CID 31670165
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 110923536
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 46537081
N-(4-bromo-2-methylphenyl)-2-(2,4-dinitroanilino)acetamide
CID 9185550
2-[[2-(2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 43465699
N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26526739
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide (CID 24510725) is 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is XQBARAKPQVUEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O6/c1-11-8-12(21(25)26)2-4-14(11)20-17(24)10-19-16-9-13(22(27)28)3-5-15(16)18-6-7-23/h2-5,8-9,18-19,23H,6-7,10H2,1H3,(H,20,24).
What are the key properties of 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide?
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 389.37 g/mol, XLogP of 2.27, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 24510725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).