2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid

C17H19NO3 — CID 60990825

IUPAC2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
SMILESCOc1ccc(C(C)(Nc2ccccc2C)C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-12-6-4-5-7-15(12)18-17(2,16(19)20)13-8-10-14(21-3)11-9-13/h4-11,18H,1-3H3,(H,19,20)
InChIKeyHZGPHRCWJOCLGI-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid

2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid (PubChem CID 60990825) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
PubChem CID60990825
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
SMILESCOc1ccc(C(C)(Nc2ccccc2C)C(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-12-6-4-5-7-15(12)18-17(2,16(19)20)13-8-10-14(21-3)11-9-13/h4-11,18H,1-3H3,(H,19,20)
InChIKeyHZGPHRCWJOCLGI-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
CID 60992455
2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
CID 60993618
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996438
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
CID 94271266
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid
CID 103464846
methyl 2-(3-bromophenyl)-2-(2-methylanilino)propanoate
CID 60992627
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid (CID 60990825) is 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid is COc1ccc(C(C)(Nc2ccccc2C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid?
The InChIKey is HZGPHRCWJOCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-6-4-5-7-15(12)18-17(2,16(19)20)13-8-10-14(21-3)11-9-13/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid?
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid is sourced from PubChem (CID 60990825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).