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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Related Compounds

4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
CID 86891052
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide
CID 50881773
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951

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).