2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid

C14H19NO3 — CID 79793464

IUPAC2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-5-14(4,13(17)18)15-12(16)11-7-6-9(2)8-10(11)3/h6-8H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyXWCNPMWBDQNVJS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.29
Rot. Bonds4

About 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid

2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid (PubChem CID 79793464) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
PubChem CID79793464
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-5-14(4,13(17)18)15-12(16)11-7-6-9(2)8-10(11)3/h6-8H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyXWCNPMWBDQNVJS-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
2-[(2,4-dimethyl-5-nitrobenzoyl)amino]-2-methylbutanoic acid
CID 122107399
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
2-[(2,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 79793272
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 79792319
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid (CID 79793464) is 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is XWCNPMWBDQNVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-14(4,13(17)18)15-12(16)11-7-6-9(2)8-10(11)3/h6-8H,5H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid?
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).