methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate

C17H17N3O4 — CID 5426953

IUPACmethyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H17N3O4/c1-23-16(21)11-24-13-8-6-12(7-9-13)10-19-20-17(22)14-4-2-3-5-15(14)18/h2-10H,11,18H2,1H3,(H,20,22)/b19-10-
InChIKeyGKGQPAFVBDLICQ-GRSHGNNSSA-N
MW327.34 g/mol
LogP1.58
Rot. Bonds6

About methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate

methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 5426953) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID5426953
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Namemethyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H17N3O4/c1-23-16(21)11-24-13-8-6-12(7-9-13)10-19-20-17(22)14-4-2-3-5-15(14)18/h2-10H,11,18H2,1H3,(H,20,22)/b19-10-
InChIKeyGKGQPAFVBDLICQ-GRSHGNNSSA-N
XLogP1.58
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 21370780
methyl 2-[4-[(Z)-[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6246445
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6148234
methyl 2-[4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4036375
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
methyl 2-[4-[(E)-(2-methylpropanoylhydrazinylidene)methyl]phenoxy]acetate
CID 94833193
methyl 2-[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126267893
methyl 2-[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832752
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
methyl 2-[4-[(Z)-[[2-(2-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate (CID 5426953) is methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1.
What is the InChIKey of methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is GKGQPAFVBDLICQ-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-16(21)11-24-13-8-6-12(7-9-13)10-19-20-17(22)14-4-2-3-5-15(14)18/h2-10H,11,18H2,1H3,(H,20,22)/b19-10-.
What are the key properties of methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 327.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 5426953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).