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

C19H21NO4 — CID 119218262

IUPAC2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccccc2CC(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-13-9-14(2)11-16(10-13)24-8-7-18(21)20-17-6-4-3-5-15(17)12-19(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXYJZWIWMHGKCKB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.34
Rot. Bonds7

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

2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid (PubChem CID 119218262) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
PubChem CID119218262
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccccc2CC(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-13-9-14(2)11-16(10-13)24-8-7-18(21)20-17-6-4-3-5-15(17)12-19(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXYJZWIWMHGKCKB-UHFFFAOYSA-N
XLogP3.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218425
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727
N-[2-(ethylaminomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 119439844
3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 17034730
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid (CID 119218262) is 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid is Cc1cc(C)cc(OCCC(=O)Nc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid?
The InChIKey is XYJZWIWMHGKCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-9-14(2)11-16(10-13)24-8-7-18(21)20-17-6-4-3-5-15(17)12-19(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid?
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 119218262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).