ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

C18H24FNO5 — CID 67372166

IUPACethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCCOC(=O)C(CCC(=O)c1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H24FNO5/c1-5-24-16(22)14(20-17(23)25-18(2,3)4)10-11-15(21)12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyQVWZSRUAQDLOIL-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.24
Rot. Bonds7

About ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (PubChem CID 67372166) has the molecular formula C18H24FNO5 and a molecular weight of 353.39 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
PubChem CID67372166
Molecular FormulaC18H24FNO5
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Nameethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCCOC(=O)C(CCC(=O)c1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H24FNO5/c1-5-24-16(22)14(20-17(23)25-18(2,3)4)10-11-15(21)12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyQVWZSRUAQDLOIL-UHFFFAOYSA-N
XLogP3.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (CID 67372166) is ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is CCOC(=O)C(CCC(=O)c1ccc(F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The InChIKey is QVWZSRUAQDLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO5/c1-5-24-16(22)14(20-17(23)25-18(2,3)4)10-11-15(21)12-6-8-13(19)9-7-12/h6-9,14H,5,10-11H2,1-4H3,(H,20,23).
What are the key properties of ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate has a molecular weight of 353.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is sourced from PubChem (CID 67372166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).