[2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate

C18H17NO4 — CID 3000008

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c20-17(12-22-18(21)13-6-7-13)19-14-8-10-16(11-9-14)23-15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2,(H,19,20)
InChIKeyPAQOYLONVIDZJD-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.37
Rot. Bonds6

About [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate

[2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate (PubChem CID 3000008) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate
PubChem CID3000008
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c20-17(12-22-18(21)13-6-7-13)19-14-8-10-16(11-9-14)23-15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2,(H,19,20)
InChIKeyPAQOYLONVIDZJD-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate (CID 3000008) is [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate?
The InChIKey is PAQOYLONVIDZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(12-22-18(21)13-6-7-13)19-14-8-10-16(11-9-14)23-15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2,(H,19,20).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate?
[2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] cyclopropanecarboxylate is sourced from PubChem (CID 3000008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).