2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid

C19H21NO3 — CID 120540582

IUPAC2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-13-5-3-4-6-16(13)12-18(21)20-17-9-7-15(8-10-17)11-14(2)19(22)23/h3-10,14H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNVQRAWKSKAPUDV-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.44
Rot. Bonds6

About 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid

2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid (PubChem CID 120540582) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
PubChem CID120540582
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-13-5-3-4-6-16(13)12-18(21)20-17-9-7-15(8-10-17)11-14(2)19(22)23/h3-10,14H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNVQRAWKSKAPUDV-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]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-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
(2R)-2-methyl-3-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]propanoic acid
CID 129401449
3-[4-[[2-(2,6-dimethoxyphenyl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540927
2-methyl-3-[4-[(2-methylsulfanylacetyl)amino]phenyl]propanoic acid
CID 120540736
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541324
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
3-[4-(3-ethylpentanoylamino)phenyl]-2-methylpropanoic acid
CID 120541519
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid (CID 120540582) is 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid is Cc1ccccc1CC(=O)Nc1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
The InChIKey is NVQRAWKSKAPUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-5-3-4-6-16(13)12-18(21)20-17-9-7-15(8-10-17)11-14(2)19(22)23/h3-10,14H,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120540582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).