2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid

C19H19NO4 — CID 120689771

IUPAC2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C19H19NO4/c21-18(22)12-24-17-10-8-16(9-11-17)20-19(23)15-6-4-14(5-7-15)13-2-1-3-13/h4-11,13H,1-3,12H2,(H,20,23)(H,21,22)
InChIKeyIKZYWSPZRNILPR-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.67
Rot. Bonds6

About 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid

2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid (PubChem CID 120689771) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
PubChem CID120689771
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C19H19NO4/c21-18(22)12-24-17-10-8-16(9-11-17)20-19(23)15-6-4-14(5-7-15)13-2-1-3-13/h4-11,13H,1-3,12H2,(H,20,23)(H,21,22)
InChIKeyIKZYWSPZRNILPR-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-(4-benzamidophenoxy)acetic acid
CID 3830392
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
N-(4-cyclohexylphenyl)benzamide
CID 10333838
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid (CID 120689771) is 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid?
The InChIKey is IKZYWSPZRNILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(22)12-24-17-10-8-16(9-11-17)20-19(23)15-6-4-14(5-7-15)13-2-1-3-13/h4-11,13H,1-3,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid?
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid has a molecular weight of 325.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 120689771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).