2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid

C26H21NO4 — CID 72812195

IUPAC2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1cccc(-c2cccc(OCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C26H21NO4/c28-26(29)18-31-27-16-19-5-3-8-23(13-19)24-9-4-10-25(15-24)30-17-20-11-12-21-6-1-2-7-22(21)14-20/h1-16H,17-18H2,(H,28,29)
InChIKeyUPCDWRFMULKPEJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.52
Rot. Bonds8

About 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid

2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid (PubChem CID 72812195) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
PubChem CID72812195
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1cccc(-c2cccc(OCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C26H21NO4/c28-26(29)18-31-27-16-19-5-3-8-23(13-19)24-9-4-10-25(15-24)30-17-20-11-12-21-6-1-2-7-22(21)14-20/h1-16H,17-18H2,(H,28,29)
InChIKeyUPCDWRFMULKPEJ-UHFFFAOYSA-N
XLogP5.52
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
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-[[3-[4-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91326292
2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91584716
2-[[2-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91032678
2-[(E)-[4-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 87480824
2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91371607
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[(E)-[3-[2,4-bis[(4-bromophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 11422226
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013461
2-[(E)-[3,5-bis[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453394
2-[(E)-[3,5-bis[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453424
2-[[2-[(3-methylphenyl)methoxy]-4-phenylphenyl]methylideneamino]oxyacetic acid
CID 90918606
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid?
The IUPAC name of 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid (CID 72812195) is 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid is O=C(O)CON=Cc1cccc(-c2cccc(OCc3ccc4ccccc4c3)c2)c1.
What is the InChIKey of 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid?
The InChIKey is UPCDWRFMULKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c28-26(29)18-31-27-16-19-5-3-8-23(13-19)24-9-4-10-25(15-24)30-17-20-11-12-21-6-1-2-7-22(21)14-20/h1-16H,17-18H2,(H,28,29).
What are the key properties of 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid?
2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid has a molecular weight of 411.46 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid is sourced from PubChem (CID 72812195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).