N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide

C19H22N2O6 — CID 2592580

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H22N2O6/c1-23-14-7-6-12(15(10-14)24-2)11-20-21-19(22)13-8-16(25-3)18(27-5)17(9-13)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyXQVGLPRERKXJCV-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.49
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide

N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 2592580) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID2592580
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H22N2O6/c1-23-14-7-6-12(15(10-14)24-2)11-20-21-19(22)13-8-16(25-3)18(27-5)17(9-13)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyXQVGLPRERKXJCV-UHFFFAOYSA-N
XLogP2.49
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-prop-1-en-2-ylbenzamide
CID 162458820
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6162958
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
3,4,5-trimethoxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide;hydrate
CID 139086784
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 5373886
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589258
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide (CID 2592580) is N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide is COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is XQVGLPRERKXJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-23-14-7-6-12(15(10-14)24-2)11-20-21-19(22)13-8-16(25-3)18(27-5)17(9-13)26-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 374.39 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2592580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).