2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid

C19H21NO3 — CID 119254214

IUPAC2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C19H21NO3/c1-12-5-6-13(2)16(11-12)17(21)20-15-9-7-14(8-10-15)19(3,4)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyPRCJMTQZUSOJKR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 119254214) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID119254214
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1
InChIInChI=1S/C19H21NO3/c1-12-5-6-13(2)16(11-12)17(21)20-15-9-7-14(8-10-15)19(3,4)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyPRCJMTQZUSOJKR-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
2-methyl-2-[4-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]phenyl]propanoic acid
CID 120528782
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119253841
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid (CID 119254214) is 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid is Cc1ccc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is PRCJMTQZUSOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-5-6-13(2)16(11-12)17(21)20-15-9-7-14(8-10-15)19(3,4)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119254214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).