[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate

C19H22N2O6 — CID 91972727

IUPAC[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
SMILESCOc1ccc(C/C(N)=N/OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O6/c1-23-14-7-5-12(6-8-14)9-17(20)21-27-19(22)13-10-15(24-2)18(26-4)16(11-13)25-3/h5-8,10-11H,9H2,1-4H3,(H2,20,21)
InChIKeyWGQCGHJMNMEFIQ-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.39
Rot. Bonds8

About [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate

[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate (PubChem CID 91972727) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
PubChem CID91972727
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
SMILESCOc1ccc(C/C(N)=N/OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O6/c1-23-14-7-5-12(6-8-14)9-17(20)21-27-19(22)13-10-15(24-2)18(26-4)16(11-13)25-3/h5-8,10-11H,9H2,1-4H3,(H2,20,21)
InChIKeyWGQCGHJMNMEFIQ-UHFFFAOYSA-N
XLogP2.39
TPSA101.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-nitrophenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 2913010
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dimethoxybenzoate
CID 6386281
[[1-amino-2-(4-nitrophenyl)ethylidene]amino] 3,4-dimethoxybenzoate
CID 2862123
[[1-amino-2-(3,4-dimethoxyphenyl)ethylidene]amino] 4-methylbenzoate
CID 4211421
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348508
(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 18084445
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
CID 123284882
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate?
The IUPAC name of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate (CID 91972727) is [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate is COc1ccc(C/C(N)=N/OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate?
The InChIKey is WGQCGHJMNMEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-23-14-7-5-12(6-8-14)9-17(20)21-27-19(22)13-10-15(24-2)18(26-4)16(11-13)25-3/h5-8,10-11H,9H2,1-4H3,(H2,20,21).
What are the key properties of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate?
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate has a molecular weight of 374.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 91972727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).