2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide

C17H18N2O6 — CID 135934788

IUPAC2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide
SMILESCOc1cccc(OC/C(=N/O)c2ccc(OCC(N)=O)cc2O)c1
InChIInChI=1S/C17H18N2O6/c1-23-11-3-2-4-12(7-11)24-9-15(19-22)14-6-5-13(8-16(14)20)25-10-17(18)21/h2-8,20,22H,9-10H2,1H3,(H2,18,21)/b19-15-
InChIKeyQMQVFZQGMSOOMO-CYVLTUHYSA-N
MW346.34 g/mol
LogP1.52
Rot. Bonds8

About 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide

2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide (PubChem CID 135934788) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide
PubChem CID135934788
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide
SMILESCOc1cccc(OC/C(=N/O)c2ccc(OCC(N)=O)cc2O)c1
InChIInChI=1S/C17H18N2O6/c1-23-11-3-2-4-12(7-11)24-9-15(19-22)14-6-5-13(8-16(14)20)25-10-17(18)21/h2-8,20,22H,9-10H2,1H3,(H2,18,21)/b19-15-
InChIKeyQMQVFZQGMSOOMO-CYVLTUHYSA-N
XLogP1.52
TPSA123.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
2-[N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]-5-methoxyphenol
CID 3887357
[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
CID 7219890
2-[4-hydroxy-3-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]phenoxy]acetamide
CID 127254692
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135557679
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 76928324
2-[3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111764291
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide?
The IUPAC name of 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide (CID 135934788) is 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide is COc1cccc(OC/C(=N/O)c2ccc(OCC(N)=O)cc2O)c1.
What is the InChIKey of 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide?
The InChIKey is QMQVFZQGMSOOMO-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-23-11-3-2-4-12(7-11)24-9-15(19-22)14-6-5-13(8-16(14)20)25-10-17(18)21/h2-8,20,22H,9-10H2,1H3,(H2,18,21)/b19-15-.
What are the key properties of 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide?
2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide has a molecular weight of 346.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[(E)-N-hydroxy-C-[(3-methoxyphenoxy)methyl]carbonimidoyl]phenoxy]acetamide is sourced from PubChem (CID 135934788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).