2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid

C17H25NO5 — CID 22048557

IUPAC2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid
SMILESCc1c(C)c(NC(=O)OC(C)(C)C)c(C)c(OCC(=O)O)c1C
InChIInChI=1S/C17H25NO5/c1-9-10(2)14(18-16(21)23-17(5,6)7)12(4)15(11(9)3)22-8-13(19)20/h8H2,1-7H3,(H,18,21)(H,19,20)
InChIKeyZEYDWSUXIXOJPT-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.73
Rot. Bonds4

About 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid

2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid (PubChem CID 22048557) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid
PubChem CID22048557
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid
SMILESCc1c(C)c(NC(=O)OC(C)(C)C)c(C)c(OCC(=O)O)c1C
InChIInChI=1S/C17H25NO5/c1-9-10(2)14(18-16(21)23-17(5,6)7)12(4)15(11(9)3)22-8-13(19)20/h8H2,1-7H3,(H,18,21)(H,19,20)
InChIKeyZEYDWSUXIXOJPT-UHFFFAOYSA-N
XLogP3.73
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid (CID 22048557) is 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid is Cc1c(C)c(NC(=O)OC(C)(C)C)c(C)c(OCC(=O)O)c1C.
What is the InChIKey of 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid?
The InChIKey is ZEYDWSUXIXOJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-9-10(2)14(18-16(21)23-17(5,6)7)12(4)15(11(9)3)22-8-13(19)20/h8H2,1-7H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid?
2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid has a molecular weight of 323.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,6-tetramethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetic acid is sourced from PubChem (CID 22048557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).