2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid

C20H23NO4 — CID 119218425

IUPAC2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid
SMILESCc1cc(C)c(C)c(OCCC(=O)Nc2ccccc2CC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-13-10-14(2)15(3)18(11-13)25-9-8-19(22)21-17-7-5-4-6-16(17)12-20(23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyOETFKFJQRKWNND-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.65
Rot. Bonds7

About 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid

2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid (PubChem CID 119218425) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid
PubChem CID119218425
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid
SMILESCc1cc(C)c(C)c(OCCC(=O)Nc2ccccc2CC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-13-10-14(2)15(3)18(11-13)25-9-8-19(22)21-17-7-5-4-6-16(17)12-20(23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyOETFKFJQRKWNND-UHFFFAOYSA-N
XLogP3.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
N-(2-aminoethyl)-2-[3-(2,3,5-trimethylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120603313
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
4-oxo-4-[[2-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylamino]butanoic acid
CID 20994233
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
3-(2-phenylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 52579450

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid (CID 119218425) is 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid is Cc1cc(C)c(C)c(OCCC(=O)Nc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid?
The InChIKey is OETFKFJQRKWNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-10-14(2)15(3)18(11-13)25-9-8-19(22)21-17-7-5-4-6-16(17)12-20(23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid?
2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 119218425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).