2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid

C19H20N2O6 — CID 3294839

IUPAC2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
SMILESCOc1ccccc1C(=O)NN=Cc1cccc(OC)c1OC(C)C(=O)O
InChIInChI=1S/C19H20N2O6/c1-12(19(23)24)27-17-13(7-6-10-16(17)26-3)11-20-21-18(22)14-8-4-5-9-15(14)25-2/h4-12H,1-3H3,(H,21,22)(H,23,24)
InChIKeyRQAFSJULYNIBLT-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.32
Rot. Bonds8

About 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid

2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid (PubChem CID 3294839) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
PubChem CID3294839
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
SMILESCOc1ccccc1C(=O)NN=Cc1cccc(OC)c1OC(C)C(=O)O
InChIInChI=1S/C19H20N2O6/c1-12(19(23)24)27-17-13(7-6-10-16(17)26-3)11-20-21-18(22)14-8-4-5-9-15(14)25-2/h4-12H,1-3H3,(H,21,22)(H,23,24)
InChIKeyRQAFSJULYNIBLT-UHFFFAOYSA-N
XLogP2.32
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126239591
(2S)-2-[2-methoxy-6-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 126240172
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 9077721
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126238421
(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
CID 126251082
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
(2R)-2-[2-methoxy-6-[(2-methoxyphenyl)iminomethyl]phenoxy]propanoic acid
CID 126243355
(2S)-2-[2-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126236865
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
N-[(Z)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 9015602

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
The IUPAC name of 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid (CID 3294839) is 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid is COc1ccccc1C(=O)NN=Cc1cccc(OC)c1OC(C)C(=O)O.
What is the InChIKey of 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
The InChIKey is RQAFSJULYNIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-12(19(23)24)27-17-13(7-6-10-16(17)26-3)11-20-21-18(22)14-8-4-5-9-15(14)25-2/h4-12H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid?
2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid has a molecular weight of 372.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 3294839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).