N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide

C16H16N2O4 — CID 135615813

IUPACN-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)c(/C=N/NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16N2O4/c1-21-12-8-14(19)13(15(9-12)22-2)10-17-18-16(20)11-6-4-3-5-7-11/h3-10,19H,1-2H3,(H,18,20)/b17-10+
InChIKeyBHRDHIJIWJXSAD-LICLKQGHSA-N
MW300.31 g/mol
LogP2.17
Rot. Bonds5

About N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide

N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 135615813) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID135615813
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)c(/C=N/NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16N2O4/c1-21-12-8-14(19)13(15(9-12)22-2)10-17-18-16(20)11-6-4-3-5-7-11/h3-10,19H,1-2H3,(H,18,20)/b17-10+
InChIKeyBHRDHIJIWJXSAD-LICLKQGHSA-N
XLogP2.17
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135455777
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
3-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891442
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
5-chloro-2-hydroxy-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 9297823

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide (CID 135615813) is N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(O)c(/C=N/NC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BHRDHIJIWJXSAD-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-12-8-14(19)13(15(9-12)22-2)10-17-18-16(20)11-6-4-3-5-7-11/h3-10,19H,1-2H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 300.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135615813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).