4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid

C26H25NO5 — CID 166323103

IUPAC4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccc(OC4CCCC4)cc3)ccc2C(=O)O)cc1
InChIInChI=1S/C26H25NO5/c1-31-20-11-8-18(9-12-20)25(28)27-24-16-19(10-15-23(24)26(29)30)17-6-13-22(14-7-17)32-21-4-2-3-5-21/h6-16,21H,2-5H2,1H3,(H,27,28)(H,29,30)
InChIKeyUQLOSGYADUPVMU-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.63
Rot. Bonds7

About 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid

4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 166323103) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID166323103
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccc(OC4CCCC4)cc3)ccc2C(=O)O)cc1
InChIInChI=1S/C26H25NO5/c1-31-20-11-8-18(9-12-20)25(28)27-24-16-19(10-15-23(24)26(29)30)17-6-13-22(14-7-17)32-21-4-2-3-5-21/h6-16,21H,2-5H2,1H3,(H,27,28)(H,29,30)
InChIKeyUQLOSGYADUPVMU-UHFFFAOYSA-N
XLogP5.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid (CID 166323103) is 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2cc(-c3ccc(OC4CCCC4)cc3)ccc2C(=O)O)cc1.
What is the InChIKey of 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is UQLOSGYADUPVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c1-31-20-11-8-18(9-12-20)25(28)27-24-16-19(10-15-23(24)26(29)30)17-6-13-22(14-7-17)32-21-4-2-3-5-21/h6-16,21H,2-5H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 431.49 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 166323103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).