[(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate

C18H20N2O4 — CID 5348037

IUPAC[(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate
SMILESCOc1ccccc1C/C(N)=N/OC(=O)COc1ccc(C)cc1
InChIInChI=1S/C18H20N2O4/c1-13-7-9-15(10-8-13)23-12-18(21)24-20-17(19)11-14-5-3-4-6-16(14)22-2/h3-10H,11-12H2,1-2H3,(H2,19,20)
InChIKeyOVXLFPQUWACEAQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.44
Rot. Bonds7

About [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate

[(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate (PubChem CID 5348037) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate
PubChem CID5348037
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate
SMILESCOc1ccccc1C/C(N)=N/OC(=O)COc1ccc(C)cc1
InChIInChI=1S/C18H20N2O4/c1-13-7-9-15(10-8-13)23-12-18(21)24-20-17(19)11-14-5-3-4-6-16(14)22-2/h3-10H,11-12H2,1-2H3,(H2,19,20)
InChIKeyOVXLFPQUWACEAQ-UHFFFAOYSA-N
XLogP2.44
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate?
The IUPAC name of [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate (CID 5348037) is [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate?
The canonical SMILES for [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate is COc1ccccc1C/C(N)=N/OC(=O)COc1ccc(C)cc1.
What is the InChIKey of [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate?
The InChIKey is OVXLFPQUWACEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-7-9-15(10-8-13)23-12-18(21)24-20-17(19)11-14-5-3-4-6-16(14)22-2/h3-10H,11-12H2,1-2H3,(H2,19,20).
What are the key properties of [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate?
[(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate has a molecular weight of 328.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 5348037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).