N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide

C17H18N2O4 — CID 4613263

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(C)cc2)cc(OC)c1O
InChIInChI=1S/C17H18N2O4/c1-11-4-6-13(7-5-11)17(21)19-18-10-12-8-14(22-2)16(20)15(9-12)23-3/h4-10,20H,1-3H3,(H,19,21)
InChIKeyLOAQGFSZAITLLC-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.48
Rot. Bonds5

About N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 4613263) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID4613263
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(C)cc2)cc(OC)c1O
InChIInChI=1S/C17H18N2O4/c1-11-4-6-13(7-5-11)17(21)19-18-10-12-8-14(22-2)16(20)15(9-12)23-3/h4-10,20H,1-3H3,(H,19,21)
InChIKeyLOAQGFSZAITLLC-UHFFFAOYSA-N
XLogP2.48
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955
4-(aminomethyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 135691055
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 135548619
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136919937
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide (CID 4613263) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide is COc1cc(C=NNC(=O)c2ccc(C)cc2)cc(OC)c1O.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is LOAQGFSZAITLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-6-13(7-5-11)17(21)19-18-10-12-8-14(22-2)16(20)15(9-12)23-3/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 4613263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).