2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid

C15H21NO4 — CID 120686259

IUPAC2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-6-15(4,14(18)19)16-13(17)11-7-9(2)12(20-5)10(3)8-11/h7-8H,6H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyZJFKHYJEBHPDLZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.30
Rot. Bonds5

About 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid

2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid (PubChem CID 120686259) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
PubChem CID120686259
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-6-15(4,14(18)19)16-13(17)11-7-9(2)12(20-5)10(3)8-11/h7-8H,6H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyZJFKHYJEBHPDLZ-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 120687898
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 43619029
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid (CID 120686259) is 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(C)c(OC)c(C)c1)C(=O)O.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is ZJFKHYJEBHPDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-6-15(4,14(18)19)16-13(17)11-7-9(2)12(20-5)10(3)8-11/h7-8H,6H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid?
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 120686259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).