2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide

C16H16N2O5 — CID 136706071

IUPAC2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cccc(OC)c2O)c1O
InChIInChI=1S/C16H16N2O5/c1-22-12-7-3-5-10(14(12)19)9-17-18-16(21)11-6-4-8-13(23-2)15(11)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9-
InChIKeyALVBJXGRECBUBU-MFOYZWKCSA-N
MW316.31 g/mol
LogP1.88
Rot. Bonds5

About 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide

2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 136706071) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
PubChem CID136706071
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cccc(OC)c2O)c1O
InChIInChI=1S/C16H16N2O5/c1-22-12-7-3-5-10(14(12)19)9-17-18-16(21)11-6-4-8-13(23-2)15(11)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9-
InChIKeyALVBJXGRECBUBU-MFOYZWKCSA-N
XLogP1.88
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.88
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 5044456
N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
CID 24773718
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 136663553
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide (CID 136706071) is 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(/C=N\NC(=O)c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is ALVBJXGRECBUBU-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-12-7-3-5-10(14(12)19)9-17-18-16(21)11-6-4-8-13(23-2)15(11)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9-.
What are the key properties of 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide?
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 316.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 136706071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).