N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide

C19H21N3O5 — CID 3959859

IUPACN'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21N3O5/c1-25-15-8-5-14(6-9-15)21-18(23)11-19(24)22-20-12-13-4-7-16(26-2)10-17(13)27-3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBHUSXQZPHFKZRT-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.19
Rot. Bonds8

About N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide

N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide (PubChem CID 3959859) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
PubChem CID3959859
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21N3O5/c1-25-15-8-5-14(6-9-15)21-18(23)11-19(24)22-20-12-13-4-7-16(26-2)10-17(13)27-3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBHUSXQZPHFKZRT-UHFFFAOYSA-N
XLogP2.19
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide (CID 3959859) is N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The InChIKey is BHUSXQZPHFKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-25-15-8-5-14(6-9-15)21-18(23)11-19(24)22-20-12-13-4-7-16(26-2)10-17(13)27-3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide has a molecular weight of 371.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 3959859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).