N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide

C16H16N2O5 — CID 6876930

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(O)cc2O)c1OC
InChIInChI=1S/C16H16N2O5/c1-22-14-5-3-4-10(15(14)23-2)9-17-18-16(21)12-7-6-11(19)8-13(12)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9+
InChIKeySBCSSMKMZLZJBZ-RQZCQDPDSA-N
MW316.31 g/mol
LogP1.88
Rot. Bonds5

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 6876930) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
PubChem CID6876930
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(O)cc2O)c1OC
InChIInChI=1S/C16H16N2O5/c1-22-14-5-3-4-10(15(14)23-2)9-17-18-16(21)12-7-6-11(19)8-13(12)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9+
InChIKeySBCSSMKMZLZJBZ-RQZCQDPDSA-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': 'imine_1', '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-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide (CID 6876930) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide is COc1cccc(/C=N/NC(=O)c2ccc(O)cc2O)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is SBCSSMKMZLZJBZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-14-5-3-4-10(15(14)23-2)9-17-18-16(21)12-7-6-11(19)8-13(12)20/h3-9,19-20H,1-2H3,(H,18,21)/b17-9+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide 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 N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 6876930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).