2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid

C24H24N2O4 — CID 23118367

IUPAC2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid
SMILESCC(C)c1cccc(COc2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1
InChIInChI=1S/C24H24N2O4/c1-16(2)22-12-6-9-19(25-22)15-30-20-10-5-8-18(14-20)26-23(27)13-17-7-3-4-11-21(17)24(28)29/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)(H,28,29)
InChIKeySLSPORTTZQGMBA-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.66
Rot. Bonds8

About 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid

2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid (PubChem CID 23118367) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid
PubChem CID23118367
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid
SMILESCC(C)c1cccc(COc2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1
InChIInChI=1S/C24H24N2O4/c1-16(2)22-12-6-9-19(25-22)15-30-20-10-5-8-18(14-20)26-23(27)13-17-7-3-4-11-21(17)24(28)29/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)(H,28,29)
InChIKeySLSPORTTZQGMBA-UHFFFAOYSA-N
XLogP4.66
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid?
The IUPAC name of 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid (CID 23118367) is 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid is CC(C)c1cccc(COc2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)n1.
What is the InChIKey of 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid?
The InChIKey is SLSPORTTZQGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(2)22-12-6-9-19(25-22)15-30-20-10-5-8-18(14-20)26-23(27)13-17-7-3-4-11-21(17)24(28)29/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid?
2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid has a molecular weight of 404.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-[(6-propan-2-yl-2-pyridinyl)methoxy]anilino]ethyl]benzoic acid is sourced from PubChem (CID 23118367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).