2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

C21H18N2O5 — CID 3290188

IUPAC2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H18N2O5/c24-20(13-27-19-10-7-16-3-1-2-4-17(16)11-19)23-22-12-15-5-8-18(9-6-15)28-14-21(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChIKeyJFMBPHXSHSXXMD-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.83
Rot. Bonds8

About 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 3290188) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID3290188
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H18N2O5/c24-20(13-27-19-10-7-16-3-1-2-4-17(16)11-19)23-22-12-15-5-8-18(9-6-15)28-14-21(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChIKeyJFMBPHXSHSXXMD-UHFFFAOYSA-N
XLogP2.83
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-[4-[[[2-(benzylideneamino)oxyacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5047309
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4145700
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6020754
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6047889

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 3290188) is 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is JFMBPHXSHSXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-20(13-27-19-10-7-16-3-1-2-4-17(16)11-19)23-22-12-15-5-8-18(9-6-15)28-14-21(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26).
What are the key properties of 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 378.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 3290188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).