2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid

C27H24N2O4 — CID 15434956

IUPAC2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1cccc2c(CCC(=O)NN(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C27H24N2O4/c30-26(28-29(21-10-3-1-4-11-21)22-12-5-2-6-13-22)18-17-20-9-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16H,17-19H2,(H,28,30)(H,31,32)
InChIKeyYLAGUHNWEAHGGU-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.11
Rot. Bonds9

About 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid

2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid (PubChem CID 15434956) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid
PubChem CID15434956
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1cccc2c(CCC(=O)NN(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C27H24N2O4/c30-26(28-29(21-10-3-1-4-11-21)22-12-5-2-6-13-22)18-17-20-9-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16H,17-19H2,(H,28,30)(H,31,32)
InChIKeyYLAGUHNWEAHGGU-UHFFFAOYSA-N
XLogP5.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[2-(2-hydroxyethylamino)-2-oxoethoxy]naphthalen-1-yl]-N-methylpropanamide
CID 54130436
2-(2-fluorophenoxy)-N',N'-diphenylacetohydrazide
CID 8886595
1-N',1-N',10-N',10-N'-tetraphenyldecanedihydrazide
CID 175049225
2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
CID 19694541
2-[2-[5-(carboxymethoxy)naphthalen-1-yl]ethyl-(2-phenylethenylsulfonyl)amino]acetic acid
CID 54429524
N',N'-diphenyl-3-sulfanylpropanehydrazide
CID 57182310
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[5-[2-(2-hydroxy-3-phenoxypropyl)sulfonylethyl]naphthalen-1-yl]oxyacetic acid
CID 15453009
1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
CID 22299122
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[5-[3-(2-phenylethylsulfinyl)prop-2-enyl]naphthalen-1-yl]oxyacetic acid
CID 57256114
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid (CID 15434956) is 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid is O=C(O)COc1cccc2c(CCC(=O)NN(c3ccccc3)c3ccccc3)cccc12.
What is the InChIKey of 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid?
The InChIKey is YLAGUHNWEAHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c30-26(28-29(21-10-3-1-4-11-21)22-12-5-2-6-13-22)18-17-20-9-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16H,17-19H2,(H,28,30)(H,31,32).
What are the key properties of 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid?
2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid has a molecular weight of 440.50 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2,2-diphenylhydrazinyl)-3-oxopropyl]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 15434956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).