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

C15H21NO4 — CID 120687898

IUPAC3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
SMILESCOc1c(C)cc(C(=O)NCC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C15H21NO4/c1-9-6-11(7-10(2)12(9)20-5)13(17)16-8-15(3,4)14(18)19/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyWZYVEPXSZVCTGL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds5

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

3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 120687898) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
PubChem CID120687898
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
SMILESCOc1c(C)cc(C(=O)NCC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C15H21NO4/c1-9-6-11(7-10(2)12(9)20-5)13(17)16-8-15(3,4)14(18)19/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyWZYVEPXSZVCTGL-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249228
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 120686259
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731
3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249605
3-[2-[(4-methoxy-3,5-dimethylbenzoyl)amino]ethyl]benzoic acid
CID 120689485
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113307764
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
3-[(4-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368177

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid (CID 120687898) is 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid is COc1c(C)cc(C(=O)NCC(C)(C)C(=O)O)cc1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is WZYVEPXSZVCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-6-11(7-10(2)12(9)20-5)13(17)16-8-15(3,4)14(18)19/h6-7H,8H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid?
3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 120687898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).