4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

C18H20N2O4 — CID 769086

IUPAC4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-12-5-7-14(8-6-12)18(21)20-19-11-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyLMYJMJGAVHMGHJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.78
Rot. Bonds6

About 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 769086) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID769086
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-12-5-7-14(8-6-12)18(21)20-19-11-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H,20,21)
InChIKeyLMYJMJGAVHMGHJ-UHFFFAOYSA-N
XLogP2.78
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6013916
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
4-(2-methylpropanoylamino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6245269
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126263379
4-[(2,6-dibromo-4-methylphenoxy)methyl]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 2370993
4-(cyclopropanecarbonylamino)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4506667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 769086) is 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is LMYJMJGAVHMGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-5-7-14(8-6-12)18(21)20-19-11-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 769086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).