3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide

C18H19N3O4 — CID 5404431

IUPAC3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-12(22)20-15-6-4-5-13(9-15)18(23)21-19-11-14-7-8-16(24-2)10-17(14)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyREZZDCUCUUXDRH-ODLFYWEKSA-N
MW341.37 g/mol
LogP2.43
Rot. Bonds6

About 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide

3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 5404431) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID5404431
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-12(22)20-15-6-4-5-13(9-15)18(23)21-19-11-14-7-8-16(24-2)10-17(14)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyREZZDCUCUUXDRH-ODLFYWEKSA-N
XLogP2.43
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
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-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-prop-1-en-2-ylbenzamide
CID 162458820
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 5373886
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-[4-[[(E)-(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496113
3-acetamido-N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 4309293
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide (CID 5404431) is 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c(OC)c1.
What is the InChIKey of 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is REZZDCUCUUXDRH-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)20-15-6-4-5-13(9-15)18(23)21-19-11-14-7-8-16(24-2)10-17(14)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-.
What are the key properties of 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5404431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).