3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

C17H18N2O3 — CID 6910508

IUPAC3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc(C)c2)cc1OC
InChIInChI=1S/C17H18N2O3/c1-12-5-4-6-13(9-12)11-18-19-17(20)14-7-8-15(21-2)16(10-14)22-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKeyLLUBVZZQFYBYFE-WOJGMQOQSA-N
MW298.34 g/mol
LogP2.78
Rot. Bonds5

About 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 6910508) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID6910508
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc(C)c2)cc1OC
InChIInChI=1S/C17H18N2O3/c1-12-5-4-6-13(9-12)11-18-19-17(20)14-7-8-15(21-2)16(10-14)22-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKeyLLUBVZZQFYBYFE-WOJGMQOQSA-N
XLogP2.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
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)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (CID 6910508) is 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C/c2cccc(C)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is LLUBVZZQFYBYFE-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-5-4-6-13(9-12)11-18-19-17(20)14-7-8-15(21-2)16(10-14)22-3/h4-11H,1-3H3,(H,19,20)/b18-11+.
What are the key properties of 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6910508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).