N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide

C16H15N3O6 — CID 136733272

IUPACN-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15N3O6/c1-2-25-14-8-10(7-13(15(14)21)19(23)24)9-17-18-16(22)11-3-5-12(20)6-4-11/h3-9,20-21H,2H2,1H3,(H,18,22)/b17-9+
InChIKeyCAENZZIRDWEGGG-RQZCQDPDSA-N
MW345.31 g/mol
LogP2.17
Rot. Bonds6

About N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 136733272) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID136733272
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15N3O6/c1-2-25-14-8-10(7-13(15(14)21)19(23)24)9-17-18-16(22)11-3-5-12(20)6-4-11/h3-9,20-21H,2H2,1H3,(H,18,22)/b17-9+
InChIKeyCAENZZIRDWEGGG-RQZCQDPDSA-N
XLogP2.17
TPSA134.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135643459
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135852510
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 137180690
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156041
N-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 110509446
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-propoxybenzamide
CID 137268508
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pentanamide
CID 136712228
N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514737

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide (CID 136733272) is N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide is CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is CAENZZIRDWEGGG-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-2-25-14-8-10(7-13(15(14)21)19(23)24)9-17-18-16(22)11-3-5-12(20)6-4-11/h3-9,20-21H,2H2,1H3,(H,18,22)/b17-9+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 345.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 136733272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).