2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid

C20H23NO6 — CID 119254386

IUPAC2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-20(2,19(23)24)12-6-8-13(9-7-12)21-18(22)14-10-11-15(25-3)17(27-5)16(14)26-4/h6-11H,1-5H3,(H,21,22)(H,23,24)
InChIKeyZYNUQCMFYZVHQY-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.33
Rot. Bonds7

About 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid (PubChem CID 119254386) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
PubChem CID119254386
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-20(2,19(23)24)12-6-8-13(9-7-12)21-18(22)14-10-11-15(25-3)17(27-5)16(14)26-4/h6-11H,1-5H3,(H,21,22)(H,23,24)
InChIKeyZYNUQCMFYZVHQY-UHFFFAOYSA-N
XLogP3.33
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
N'-(4-tert-butylbenzoyl)-2,3,4-trimethoxybenzohydrazide
CID 4822570
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid (CID 119254386) is 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid is COc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c(OC)c1OC.
What is the InChIKey of 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid?
The InChIKey is ZYNUQCMFYZVHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-20(2,19(23)24)12-6-8-13(9-7-12)21-18(22)14-10-11-15(25-3)17(27-5)16(14)26-4/h6-11H,1-5H3,(H,21,22)(H,23,24).
What are the key properties of 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid has a molecular weight of 373.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 119254386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).