2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C18H17N3O6 — CID 4097734

IUPAC2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H17N3O6/c1-26-15-5-3-2-4-14(15)20-17(24)18(25)21-19-10-12-6-8-13(9-7-12)27-11-16(22)23/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyFXXMYVGYNBZRTK-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.25
Rot. Bonds7

About 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 4097734) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID4097734
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H17N3O6/c1-26-15-5-3-2-4-14(15)20-17(24)18(25)21-19-10-12-6-8-13(9-7-12)27-11-16(22)23/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyFXXMYVGYNBZRTK-UHFFFAOYSA-N
XLogP1.25
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832293
N-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126160920
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
2-[4-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989747
N'-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 94848768
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344
2-[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6010454
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 4097734) is 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is FXXMYVGYNBZRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-26-15-5-3-2-4-14(15)20-17(24)18(25)21-19-10-12-6-8-13(9-7-12)27-11-16(22)23/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 371.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 4097734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).