3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid

C20H23NO4 — CID 20985309

IUPAC3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCc1cccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)c1C
InChIInChI=1S/C20H23NO4/c1-13-6-5-7-17(14(13)2)21-18(22)15-8-10-16(11-9-15)25-12-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyZUQLOQSILFZFKX-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.05
Rot. Bonds6

About 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid

3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 20985309) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
PubChem CID20985309
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCc1cccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)c1C
InChIInChI=1S/C20H23NO4/c1-13-6-5-7-17(14(13)2)21-18(22)15-8-10-16(11-9-15)25-12-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyZUQLOQSILFZFKX-UHFFFAOYSA-N
XLogP4.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20991308
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
3-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 22682919
3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20994472
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650988
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide
CID 142437020
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid (CID 20985309) is 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is Cc1cccc(NC(=O)c2ccc(OCC(C)(C)C(=O)O)cc2)c1C.
What is the InChIKey of 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is ZUQLOQSILFZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-6-5-7-17(14(13)2)21-18(22)15-8-10-16(11-9-15)25-12-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid?
3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 20985309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).