N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide

C17H17N3O7 — CID 137156041

IUPACN-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2O)cc([N+](=O)[O-])c1O
InChIInChI=1S/C17H17N3O7/c1-3-27-15-7-10(6-13(16(15)22)20(24)25)9-18-19-17(23)12-5-4-11(26-2)8-14(12)21/h4-9,21-22H,3H2,1-2H3,(H,19,23)/b18-9-
InChIKeyWDNUHACVGSWGKI-NVMNQCDNSA-N
MW375.34 g/mol
LogP2.18
Rot. Bonds7

About N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 137156041) has the molecular formula C17H17N3O7 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
PubChem CID137156041
Molecular FormulaC17H17N3O7
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2O)cc([N+](=O)[O-])c1O
InChIInChI=1S/C17H17N3O7/c1-3-27-15-7-10(6-13(16(15)22)20(24)25)9-18-19-17(23)12-5-4-11(26-2)8-14(12)21/h4-9,21-22H,3H2,1-2H3,(H,19,23)/b18-9-
InChIKeyWDNUHACVGSWGKI-NVMNQCDNSA-N
XLogP2.18
TPSA143.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156000
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 135783746
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135643459
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-propoxybenzamide
CID 137268508
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135606424
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pentanamide
CID 136712228
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
CID 136844919

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 137156041) is N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide is CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2O)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
The InChIKey is WDNUHACVGSWGKI-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H17N3O7/c1-3-27-15-7-10(6-13(16(15)22)20(24)25)9-18-19-17(23)12-5-4-11(26-2)8-14(12)21/h4-9,21-22H,3H2,1-2H3,(H,19,23)/b18-9-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide?
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 375.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 137156041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).