N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C15H14N2O3 — CID 135437609

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H14N2O3/c1-20-14-9-11(7-8-13(14)18)10-16-17-15(19)12-5-3-2-4-6-12/h2-10,18H,1H3,(H,17,19)/b16-10+
InChIKeySUYNYZZSBOCBER-MHWRWJLKSA-N
MW270.29 g/mol
LogP2.16
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135437609) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID135437609
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H14N2O3/c1-20-14-9-11(7-8-13(14)18)10-16-17-15(19)12-5-3-2-4-6-12/h2-10,18H,1H3,(H,17,19)/b16-10+
InChIKeySUYNYZZSBOCBER-MHWRWJLKSA-N
XLogP2.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 135437609) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N/NC(=O)c2ccccc2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is SUYNYZZSBOCBER-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-14-9-11(7-8-13(14)18)10-16-17-15(19)12-5-3-2-4-6-12/h2-10,18H,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 270.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135437609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).