[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

C15H16FNO4 — CID 2483591

IUPAC[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESCC(C)C(=O)NC(=O)COC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C15H16FNO4/c1-10(2)15(20)17-13(18)9-21-14(19)7-6-11-4-3-5-12(16)8-11/h3-8,10H,9H2,1-2H3,(H,17,18,20)/b7-6+
InChIKeyKXTFZCSEIXNQNA-VOTSOKGWSA-N
MW293.29 g/mol
LogP1.68
Rot. Bonds5

About [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 2483591) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID2483591
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESCC(C)C(=O)NC(=O)COC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C15H16FNO4/c1-10(2)15(20)17-13(18)9-21-14(19)7-6-11-4-3-5-12(16)8-11/h3-8,10H,9H2,1-2H3,(H,17,18,20)/b7-6+
InChIKeyKXTFZCSEIXNQNA-VOTSOKGWSA-N
XLogP1.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (CID 2483591) is [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is CC(C)C(=O)NC(=O)COC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is KXTFZCSEIXNQNA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-10(2)15(20)17-13(18)9-21-14(19)7-6-11-4-3-5-12(16)8-11/h3-8,10H,9H2,1-2H3,(H,17,18,20)/b7-6+.
What are the key properties of [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 293.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2483591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).