2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C17H18N4O4 — CID 4630446

IUPAC2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(C)c1
InChIInChI=1S/C17H18N4O4/c1-11-3-5-15(12(2)7-11)18-10-17(23)20-19-9-13-8-14(21(24)25)4-6-16(13)22/h3-9,18,22H,10H2,1-2H3,(H,20,23)
InChIKeyZYHPTMNWRUWQGD-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.48
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 4630446) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID4630446
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(C)c1
InChIInChI=1S/C17H18N4O4/c1-11-3-5-15(12(2)7-11)18-10-17(23)20-19-9-13-8-14(21(24)25)4-6-16(13)22/h3-9,18,22H,10H2,1-2H3,(H,20,23)
InChIKeyZYHPTMNWRUWQGD-UHFFFAOYSA-N
XLogP2.48
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 4579074
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
2-(2-bromo-4-methylanilino)-N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 4982686
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 4029850
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 135443110
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135722913
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 4630446) is 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Cc1ccc(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ZYHPTMNWRUWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-3-5-15(12(2)7-11)18-10-17(23)20-19-9-13-8-14(21(24)25)4-6-16(13)22/h3-9,18,22H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 342.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4630446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).