methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate

C18H20FNO4 — CID 30875659

IUPACmethyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H20FNO4/c1-18(2,17(22)23-3)20-16(21)11-9-12-8-10-15(24-12)13-6-4-5-7-14(13)19/h4-8,10H,9,11H2,1-3H3,(H,20,21)
InChIKeyPUAXGHPOTJFASI-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.09
Rot. Bonds6

About methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate

methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate (PubChem CID 30875659) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate
PubChem CID30875659
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H20FNO4/c1-18(2,17(22)23-3)20-16(21)11-9-12-8-10-15(24-12)13-6-4-5-7-14(13)19/h4-8,10H,9,11H2,1-3H3,(H,20,21)
InChIKeyPUAXGHPOTJFASI-UHFFFAOYSA-N
XLogP3.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate (CID 30875659) is methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate?
The InChIKey is PUAXGHPOTJFASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-18(2,17(22)23-3)20-16(21)11-9-12-8-10-15(24-12)13-6-4-5-7-14(13)19/h4-8,10H,9,11H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate?
methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate has a molecular weight of 333.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoate is sourced from PubChem (CID 30875659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).