2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid

C20H23NO4 — CID 122111976

IUPAC2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid
SMILESCc1ccccc1COc1ccccc1C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C20H23NO4/c1-14-8-4-5-9-16(14)13-25-18-11-7-6-10-17(18)19(22)21(3)12-15(2)20(23)24/h4-11,15H,12-13H2,1-3H3,(H,23,24)
InChIKeyFOKREFNTKAOGOR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.37
Rot. Bonds7

About 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid (PubChem CID 122111976) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid
PubChem CID122111976
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid
SMILESCc1ccccc1COc1ccccc1C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C20H23NO4/c1-14-8-4-5-9-16(14)13-25-18-11-7-6-10-17(18)19(22)21(3)12-15(2)20(23)24/h4-11,15H,12-13H2,1-3H3,(H,23,24)
InChIKeyFOKREFNTKAOGOR-UHFFFAOYSA-N
XLogP3.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic 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

3-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227986
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
4-methyl-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528381
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756
3-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120524322
2-(2-amino-2-oxoethoxy)-N-methyl-N-(2-methylpropyl)benzamide
CID 134005920
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243
2-methyl-3-[methyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119228442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid (CID 122111976) is 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid is Cc1ccccc1COc1ccccc1C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid?
The InChIKey is FOKREFNTKAOGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-8-4-5-9-16(14)13-25-18-11-7-6-10-17(18)19(22)21(3)12-15(2)20(23)24/h4-11,15H,12-13H2,1-3H3,(H,23,24).
What are the key properties of 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid is sourced from PubChem (CID 122111976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).