3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide

C19H22N2O3 — CID 9232674

IUPAC3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(C)c(C)cc2C)cc1OC
InChIInChI=1S/C19H22N2O3/c1-12-8-14(3)16(9-13(12)2)11-20-21-19(22)15-6-7-17(23-4)18(10-15)24-5/h6-11H,1-5H3,(H,21,22)/b20-11-
InChIKeyJFILBGQNFDHLJH-JAIQZWGSSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds5

About 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide

3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide (PubChem CID 9232674) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
PubChem CID9232674
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(C)c(C)cc2C)cc1OC
InChIInChI=1S/C19H22N2O3/c1-12-8-14(3)16(9-13(12)2)11-20-21-19(22)15-6-7-17(23-4)18(10-15)24-5/h6-11H,1-5H3,(H,21,22)/b20-11-
InChIKeyJFILBGQNFDHLJH-JAIQZWGSSA-N
XLogP3.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
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)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
[4-bromo-2-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3793767
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 135998435
N-[2-[[(2,5-dimethylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66638397

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide (CID 9232674) is 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2cc(C)c(C)cc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide?
The InChIKey is JFILBGQNFDHLJH-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-8-14(3)16(9-13(12)2)11-20-21-19(22)15-6-7-17(23-4)18(10-15)24-5/h6-11H,1-5H3,(H,21,22)/b20-11-.
What are the key properties of 3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.39, 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-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 9232674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).