methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate

C18H20N2O5 — CID 18364959

IUPACmethyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(/N=C(\N)COc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O5/c1-22-14-9-8-12(18(21)24-3)10-13(14)20-17(19)11-25-16-7-5-4-6-15(16)23-2/h4-10H,11H2,1-3H3,(H2,19,20)
InChIKeyULQPJQIAPNILIZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.56
Rot. Bonds7

About methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate

methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate (PubChem CID 18364959) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate
PubChem CID18364959
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(/N=C(\N)COc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O5/c1-22-14-9-8-12(18(21)24-3)10-13(14)20-17(19)11-25-16-7-5-4-6-15(16)23-2/h4-10H,11H2,1-3H3,(H2,19,20)
InChIKeyULQPJQIAPNILIZ-UHFFFAOYSA-N
XLogP2.56
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(1-amino-2-phenoxyethylidene)amino]-4-methoxybenzoate
CID 54202890
methyl 3-[[1-amino-3-(4-fluorophenyl)-3-oxopropylidene]amino]-4-methoxybenzoate
CID 58608673
3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid
CID 154448738
methyl 3-[(1-amino-4-methoxy-2-phenylbutylidene)amino]-4-methoxybenzoate
CID 22663422
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
methyl 3-[[amino-(4-nitrophenyl)methylidene]amino]-4-methoxybenzoate
CID 69119159
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 3-bromo-4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 36942712
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate (CID 18364959) is methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(/N=C(\N)COc2ccccc2OC)c1.
What is the InChIKey of methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate?
The InChIKey is ULQPJQIAPNILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-14-9-8-12(18(21)24-3)10-13(14)20-17(19)11-25-16-7-5-4-6-15(16)23-2/h4-10H,11H2,1-3H3,(H2,19,20).
What are the key properties of methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate?
methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate has a molecular weight of 344.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-amino-2-(2-methoxyphenoxy)ethylidene]amino]-4-methoxybenzoate is sourced from PubChem (CID 18364959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).