2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid

C26H21NO5 — CID 10137340

IUPAC2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2c1
InChIInChI=1S/C26H21NO5/c28-25(29)17-31-22-13-11-19-14-21(12-10-20(19)15-22)27-26(30)23-8-4-5-9-24(23)32-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,27,30)(H,28,29)
InChIKeyYZXWBWPRXLOZKA-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.13
Rot. Bonds8

About 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid

2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid (PubChem CID 10137340) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
PubChem CID10137340
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2c1
InChIInChI=1S/C26H21NO5/c28-25(29)17-31-22-13-11-19-14-21(12-10-20(19)15-22)27-26(30)23-8-4-5-9-24(23)32-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,27,30)(H,28,29)
InChIKeyYZXWBWPRXLOZKA-UHFFFAOYSA-N
XLogP5.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
N-(4-fluorophenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 1300898
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid (CID 10137340) is 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid is O=C(O)COc1ccc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc2c1.
What is the InChIKey of 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid?
The InChIKey is YZXWBWPRXLOZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c28-25(29)17-31-22-13-11-19-14-21(12-10-20(19)15-22)27-26(30)23-8-4-5-9-24(23)32-16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,27,30)(H,28,29).
What are the key properties of 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid?
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid has a molecular weight of 427.46 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 10137340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).