4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid

C22H20N2O4 — CID 4247588

IUPAC4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(15-28-19-11-10-16-6-4-5-9-18(16)14-19)24-23-20(12-13-22(26)27)17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,24,25)(H,26,27)
InChIKeyIMYSVPWUZIMANN-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.60
Rot. Bonds8

About 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid

4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid (PubChem CID 4247588) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
PubChem CID4247588
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(15-28-19-11-10-16-6-4-5-9-18(16)14-19)24-23-20(12-13-22(26)27)17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,24,25)(H,26,27)
InChIKeyIMYSVPWUZIMANN-UHFFFAOYSA-N
XLogP3.60
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
N-[(3-methyl-1-phenylbutylidene)amino]-2-naphthalen-2-yloxyacetamide
CID 4605670
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
4-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 3763980
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034

Frequently Asked Questions

What is the IUPAC name of 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid?
The IUPAC name of 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid (CID 4247588) is 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid is O=C(O)CCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid?
The InChIKey is IMYSVPWUZIMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(15-28-19-11-10-16-6-4-5-9-18(16)14-19)24-23-20(12-13-22(26)27)17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,24,25)(H,26,27).
What are the key properties of 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid?
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid has a molecular weight of 376.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid is sourced from PubChem (CID 4247588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).