2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid

C20H24N2O4 — CID 143439170

IUPAC2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid
SMILESCc1cc(C)c(N(C(N)=O)c2ccccc2OC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-10-13(2)17(14(3)11-12)22(19(21)25)15-8-6-7-9-16(15)26-20(4,5)18(23)24/h6-11H,1-5H3,(H2,21,25)(H,23,24)
InChIKeyUYAYSHBDBYMLTR-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.07
Rot. Bonds5

About 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid

2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid (PubChem CID 143439170) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid
PubChem CID143439170
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid
SMILESCc1cc(C)c(N(C(N)=O)c2ccccc2OC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-10-13(2)17(14(3)11-12)22(19(21)25)15-8-6-7-9-16(15)26-20(4,5)18(23)24/h6-11H,1-5H3,(H2,21,25)(H,23,24)
InChIKeyUYAYSHBDBYMLTR-UHFFFAOYSA-N
XLogP4.07
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid (CID 143439170) is 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid is Cc1cc(C)c(N(C(N)=O)c2ccccc2OC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid?
The InChIKey is UYAYSHBDBYMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-10-13(2)17(14(3)11-12)22(19(21)25)15-8-6-7-9-16(15)26-20(4,5)18(23)24/h6-11H,1-5H3,(H2,21,25)(H,23,24).
What are the key properties of 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid?
2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid has a molecular weight of 356.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-carbamoyl-2,4,6-trimethylanilino)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 143439170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).