2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid

C19H21NO4 — CID 119218421

IUPAC2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
SMILESCC(C)Oc1ccccc1CC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C19H21NO4/c1-13(2)24-17-10-6-4-8-15(17)11-18(21)20-16-9-5-3-7-14(16)12-19(22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyLOPBJUQMVOPBQT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.28
Rot. Bonds7

About 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid

2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid (PubChem CID 119218421) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
PubChem CID119218421
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
SMILESCC(C)Oc1ccccc1CC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C19H21NO4/c1-13(2)24-17-10-6-4-8-15(17)11-18(21)20-16-9-5-3-7-14(16)12-19(22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyLOPBJUQMVOPBQT-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]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

2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 119220475
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
2-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid (CID 119218421) is 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid is CC(C)Oc1ccccc1CC(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is LOPBJUQMVOPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)24-17-10-6-4-8-15(17)11-18(21)20-16-9-5-3-7-14(16)12-19(22)23/h3-10,13H,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid?
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).