2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid

C20H20N2O4 — CID 175488495

IUPAC2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(CC(=O)Nc2ccc3[nH]ccc3c2)cc1)C(=O)O
InChIInChI=1S/C20H20N2O4/c1-20(2,19(24)25)26-16-6-3-13(4-7-16)11-18(23)22-15-5-8-17-14(12-15)9-10-21-17/h3-10,12,21H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJKPBXQNMGVETRM-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.59
Rot. Bonds6

About 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid

2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid (PubChem CID 175488495) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
PubChem CID175488495
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(CC(=O)Nc2ccc3[nH]ccc3c2)cc1)C(=O)O
InChIInChI=1S/C20H20N2O4/c1-20(2,19(24)25)26-16-6-3-13(4-7-16)11-18(23)22-15-5-8-17-14(12-15)9-10-21-17/h3-10,12,21H,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJKPBXQNMGVETRM-UHFFFAOYSA-N
XLogP3.59
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic 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

2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
CID 6331796
CID 6331796
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
2-(1H-indol-5-yl)-N-[5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]acetamide
CID 68991837
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid (CID 175488495) is 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(CC(=O)Nc2ccc3[nH]ccc3c2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is JKPBXQNMGVETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-20(2,19(24)25)26-16-6-3-13(4-7-16)11-18(23)22-15-5-8-17-14(12-15)9-10-21-17/h3-10,12,21H,11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid?
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 352.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 175488495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).