[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate

C19H19FN2O5 — CID 8665904

IUPAC[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)/C=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H19FN2O5/c1-21-17(23)11-22(2)18(24)12-26-19(25)10-8-13-7-9-16(27-13)14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,21,23)/b10-8+
InChIKeyCFUSDBURHLJDJA-CSKARUKUSA-N
MW374.37 g/mol
LogP1.85
Rot. Bonds7

About [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate (PubChem CID 8665904) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
PubChem CID8665904
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
SMILESCNC(=O)CN(C)C(=O)COC(=O)/C=C/c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H19FN2O5/c1-21-17(23)11-22(2)18(24)12-26-19(25)10-8-13-7-9-16(27-13)14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,21,23)/b10-8+
InChIKeyCFUSDBURHLJDJA-CSKARUKUSA-N
XLogP1.85
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate (CID 8665904) is [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate is CNC(=O)CN(C)C(=O)COC(=O)/C=C/c1ccc(-c2ccccc2F)o1.
What is the InChIKey of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate?
The InChIKey is CFUSDBURHLJDJA-CSKARUKUSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-21-17(23)11-22(2)18(24)12-26-19(25)10-8-13-7-9-16(27-13)14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,21,23)/b10-8+.
What are the key properties of [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate?
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate has a molecular weight of 374.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 8665904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).