2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid

C18H19NO3 — CID 84587288

IUPAC2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H19NO3/c1-12-6-4-5-7-15(12)16(20)19-14-10-8-13(9-11-14)18(2,3)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyBPRIJTMWHIOGHQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid (PubChem CID 84587288) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
PubChem CID84587288
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H19NO3/c1-12-6-4-5-7-15(12)16(20)19-14-10-8-13(9-11-14)18(2,3)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyBPRIJTMWHIOGHQ-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120528707
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-[4-(2,2-dimethylpropanoylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 17251764
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid (CID 84587288) is 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid is Cc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid?
The InChIKey is BPRIJTMWHIOGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-6-4-5-7-15(12)16(20)19-14-10-8-13(9-11-14)18(2,3)17(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 84587288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).