[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

C14H14FNO5 — CID 2415397

IUPAC[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCOC(=O)CNC(=O)COC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H14FNO5/c1-20-14(19)8-16-12(17)9-21-13(18)7-4-10-2-5-11(15)6-3-10/h2-7H,8-9H2,1H3,(H,16,17)/b7-4+
InChIKeyNZMIHYGDWIQZRH-QPJJXVBHSA-N
MW295.27 g/mol
LogP0.67
Rot. Bonds6

About [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2415397) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2415397
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESCOC(=O)CNC(=O)COC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H14FNO5/c1-20-14(19)8-16-12(17)9-21-13(18)7-4-10-2-5-11(15)6-3-10/h2-7H,8-9H2,1H3,(H,16,17)/b7-4+
InChIKeyNZMIHYGDWIQZRH-QPJJXVBHSA-N
XLogP0.67
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate (CID 2415397) is [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is COC(=O)CNC(=O)COC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is NZMIHYGDWIQZRH-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-20-14(19)8-16-12(17)9-21-13(18)7-4-10-2-5-11(15)6-3-10/h2-7H,8-9H2,1H3,(H,16,17)/b7-4+.
What are the key properties of [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 295.27 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2415397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).