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

C18H19NO3 — CID 75482470

IUPAC3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C18H19NO3/c1-13-4-2-3-5-15(13)12-17(20)19-16-9-6-14(7-10-16)8-11-18(21)22/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKGIFHADZHMVEMZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.19
Rot. Bonds6

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

3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid (PubChem CID 75482470) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
PubChem CID75482470
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C18H19NO3/c1-13-4-2-3-5-15(13)12-17(20)19-16-9-6-14(7-10-16)8-11-18(21)22/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKGIFHADZHMVEMZ-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120540582
3-[4-[[2-(2,4,6-trimethylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528339
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
3-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]propanoic acid
CID 119252418
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
3-[4-[(2-aminoacetyl)amino]phenyl]propanoic acid;hydrochloride
CID 54611935
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid (CID 75482470) is 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid is Cc1ccccc1CC(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
The InChIKey is KGIFHADZHMVEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-4-2-3-5-15(13)12-17(20)19-16-9-6-14(7-10-16)8-11-18(21)22/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid?
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 75482470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).