N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide

C16H16N2O3 — CID 772813

IUPACN-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2C)cc1O
InChIInChI=1S/C16H16N2O3/c1-11-5-3-4-6-13(11)16(20)18-17-10-12-7-8-15(21-2)14(19)9-12/h3-10,19H,1-2H3,(H,18,20)
InChIKeyRZHSKCNWHUVSFK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.47
Rot. Bonds4

About N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide (PubChem CID 772813) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
PubChem CID772813
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2C)cc1O
InChIInChI=1S/C16H16N2O3/c1-11-5-3-4-6-13(11)16(20)18-17-10-12-7-8-15(21-2)14(19)9-12/h3-10,19H,1-2H3,(H,18,20)
InChIKeyRZHSKCNWHUVSFK-UHFFFAOYSA-N
XLogP2.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
[2-methoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 45054704
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide (CID 772813) is N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide is COc1ccc(C=NNC(=O)c2ccccc2C)cc1O.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is RZHSKCNWHUVSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-3-4-6-13(11)16(20)18-17-10-12-7-8-15(21-2)14(19)9-12/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide?
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 284.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 772813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).