N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide

C18H20N4O5 — CID 135957333

IUPACN-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CNc2ccccc2C)c1O
InChIInChI=1S/C18H20N4O5/c1-3-27-16-9-14(22(25)26)8-13(18(16)24)10-20-21-17(23)11-19-15-7-5-4-6-12(15)2/h4-10,19,24H,3,11H2,1-2H3,(H,21,23)/b20-10-
InChIKeyWSVNQBKXFDGHQT-JMIUGGIZSA-N
MW372.38 g/mol
LogP2.57
Rot. Bonds8

About N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide

N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 135957333) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID135957333
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CNc2ccccc2C)c1O
InChIInChI=1S/C18H20N4O5/c1-3-27-16-9-14(22(25)26)8-13(18(16)24)10-20-21-17(23)11-19-15-7-5-4-6-12(15)2/h4-10,19,24H,3,11H2,1-2H3,(H,21,23)/b20-10-
InChIKeyWSVNQBKXFDGHQT-JMIUGGIZSA-N
XLogP2.57
TPSA126.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide (CID 135957333) is N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide is CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)CNc2ccccc2C)c1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is WSVNQBKXFDGHQT-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-3-27-16-9-14(22(25)26)8-13(18(16)24)10-20-21-17(23)11-19-15-7-5-4-6-12(15)2/h4-10,19,24H,3,11H2,1-2H3,(H,21,23)/b20-10-.
What are the key properties of N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide?
N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 135957333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).