4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid

C21H23NO4 — CID 17172239

IUPAC4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H23NO4/c23-20(22-18-10-6-17(7-11-18)21(24)25)14-26-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,22,23)(H,24,25)
InChIKeyUFSFHXBYSVLFKJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.45
Rot. Bonds6

About 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid

4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid (PubChem CID 17172239) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
PubChem CID17172239
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H23NO4/c23-20(22-18-10-6-17(7-11-18)21(24)25)14-26-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,22,23)(H,24,25)
InChIKeyUFSFHXBYSVLFKJ-UHFFFAOYSA-N
XLogP4.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 19630470
2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7441969
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041
2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7106089
N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 21041842
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2,4-dichloro-5-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677401
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid (CID 17172239) is 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid is O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is UFSFHXBYSVLFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(22-18-10-6-17(7-11-18)21(24)25)14-26-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid?
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 353.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 17172239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).