[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium

C18H21N2O4+ — CID 4993866

IUPAC[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium
SMILESCOc1ccccc1CC(N)=[NH+]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)/p+1
InChIKeyOVXLFPQUWACEAQ-UHFFFAOYSA-O
MW329.38 g/mol
LogP0.52
Rot. Bonds7

About [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium

[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium (PubChem CID 4993866) has the molecular formula C18H21N2O4+ and a molecular weight of 329.38 g/mol. Its IUPAC name is [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium.

Molecular Properties

Compound Name[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium
PubChem CID4993866
Molecular FormulaC18H21N2O4+
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium
SMILESCOc1ccccc1CC(N)=[NH+]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)/p+1
InChIKeyOVXLFPQUWACEAQ-UHFFFAOYSA-O
XLogP0.52
TPSA84.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(3-methylphenoxy)acetyl]oxyazanium
CID 3587926
[1-amino-2-(2-methoxyphenyl)ethylidene]-(3,4-dimethoxybenzoyl)oxyazanium
CID 4225617
(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium
CID 5078126
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 108547925
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7433817
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6243258

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium?
The IUPAC name of [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium (CID 4993866) is [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium.
What is the SMILES notation for [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium?
The canonical SMILES for [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium is COc1ccccc1CC(N)=[NH+]OC(=O)COc1ccc(C)cc1.
What is the InChIKey of [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium?
The InChIKey is OVXLFPQUWACEAQ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium?
[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium has a molecular weight of 329.38 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium is sourced from PubChem (CID 4993866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).