2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid

C32H25NO5 — CID 10458758

IUPAC2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Oc2ccc3cc(OCc4ccccc4)ccc3c2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C32H25NO5/c34-31(33-30-9-5-4-8-29(30)32(35)36)18-22-10-14-26(15-11-22)38-28-17-13-24-19-27(16-12-25(24)20-28)37-21-23-6-2-1-3-7-23/h1-17,19-20H,18,21H2,(H,33,34)(H,35,36)
InChIKeySBIIUSCXSOABNW-UHFFFAOYSA-N
MW503.55 g/mol
LogP7.09
Rot. Bonds9

About 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid

2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid (PubChem CID 10458758) has the molecular formula C32H25NO5 and a molecular weight of 503.55 g/mol. Its IUPAC name is 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid
PubChem CID10458758
Molecular FormulaC32H25NO5
Molecular Weight503.55 g/mol
Exact Mass503.17
IUPAC Name2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Oc2ccc3cc(OCc4ccccc4)ccc3c2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C32H25NO5/c34-31(33-30-9-5-4-8-29(30)32(35)36)18-22-10-14-26(15-11-22)38-28-17-13-24-19-27(16-12-25(24)20-28)37-21-23-6-2-1-3-7-23/h1-17,19-20H,18,21H2,(H,33,34)(H,35,36)
InChIKeySBIIUSCXSOABNW-UHFFFAOYSA-N
XLogP7.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid (CID 10458758) is 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid is O=C(Cc1ccc(Oc2ccc3cc(OCc4ccccc4)ccc3c2)cc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid?
The InChIKey is SBIIUSCXSOABNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO5/c34-31(33-30-9-5-4-8-29(30)32(35)36)18-22-10-14-26(15-11-22)38-28-17-13-24-19-27(16-12-25(24)20-28)37-21-23-6-2-1-3-7-23/h1-17,19-20H,18,21H2,(H,33,34)(H,35,36).
What are the key properties of 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid?
2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid has a molecular weight of 503.55 g/mol, XLogP of 7.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 10458758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).