N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide

C20H24N2O6 — CID 24511843

IUPACN-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1ccc(/C=N/OC(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H24N2O6/c1-13(20(23)22-15-7-9-17(25-3)19(11-15)27-5)28-21-12-14-6-8-16(24-2)18(10-14)26-4/h6-13H,1-5H3,(H,22,23)/b21-12+
InChIKeyPYPONBRBKVNUJQ-CIAFOILYSA-N
MW388.42 g/mol
LogP3.10
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide

N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide (PubChem CID 24511843) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
PubChem CID24511843
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1ccc(/C=N/OC(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H24N2O6/c1-13(20(23)22-15-7-9-17(25-3)19(11-15)27-5)28-21-12-14-6-8-16(24-2)18(10-14)26-4/h6-13H,1-5H3,(H,22,23)/b21-12+
InChIKeyPYPONBRBKVNUJQ-CIAFOILYSA-N
XLogP3.10
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.10
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

(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7669354
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 18273465
N-(3-cyanophenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxypropanamide
CID 18227611
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(4-fluorophenyl)propanamide
CID 7703063
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24511661
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
CID 7702876
4-(3,4-dimethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496094
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide (CID 24511843) is N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide is COc1ccc(/C=N/OC(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is PYPONBRBKVNUJQ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-13(20(23)22-15-7-9-17(25-3)19(11-15)27-5)28-21-12-14-6-8-16(24-2)18(10-14)26-4/h6-13H,1-5H3,(H,22,23)/b21-12+.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide?
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 388.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 24511843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).