N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide

C18H19N3O6 — CID 110509446

IUPACN-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O6/c1-3-26-16-10-17(27-4-2)15(21(24)25)9-13(16)11-19-20-18(23)12-5-7-14(22)8-6-12/h5-11,22H,3-4H2,1-2H3,(H,20,23)/b19-11-
InChIKeyZVUMQRQVJWDIOW-ODLFYWEKSA-N
MW373.37 g/mol
LogP2.86
Rot. Bonds8

About N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide

N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 110509446) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID110509446
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O6/c1-3-26-16-10-17(27-4-2)15(21(24)25)9-13(16)11-19-20-18(23)12-5-7-14(22)8-6-12/h5-11,22H,3-4H2,1-2H3,(H,20,23)/b19-11-
InChIKeyZVUMQRQVJWDIOW-ODLFYWEKSA-N
XLogP2.86
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506678
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506922
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135643459
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-ethoxy-4-nitrophenolate
CID 7368890
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide (CID 110509446) is N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide is CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is ZVUMQRQVJWDIOW-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-3-26-16-10-17(27-4-2)15(21(24)25)9-13(16)11-19-20-18(23)12-5-7-14(22)8-6-12/h5-11,22H,3-4H2,1-2H3,(H,20,23)/b19-11-.
What are the key properties of N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 373.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 110509446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).