[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'}

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Related Compounds

[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2344971
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2337070
[2-(4-Ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 2382784
[2-(dimethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2399608
methyl (2S)-3-[4-(furan-2-yl)phenyl]-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]propanoate
CID 44452469
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2408240
Furan-2-carboxylic acid (2-fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl ester
CID 3220313
2-[[2-(3-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9535164
2-(3,4-dimethylphenyl)-2-oxoethyl N-[(2-methylphenoxy)acetyl]glycinate
CID 2066742
2-[(Furan-2-ylmethyl)amino]-2-oxoethyl (4-fluorophenyl)acetate
CID 2337081
[2-oxo-2-(2-phenylethylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2364208
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2372716

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).