methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

C19H21FN2O5 — CID 55789158

IUPACmethyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CNC(=O)Cc2cccc(F)c2)oc1C
InChIInChI=1S/C19H21FN2O5/c1-12-16(19(25)26-3)9-15(27-12)11-22(2)18(24)10-21-17(23)8-13-5-4-6-14(20)7-13/h4-7,9H,8,10-11H2,1-3H3,(H,21,23)
InChIKeyUNJWKHDZYCBZSO-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.83
Rot. Bonds7

About methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 55789158) has the molecular formula C19H21FN2O5 and a molecular weight of 376.38 g/mol. Its IUPAC name is methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID55789158
Molecular FormulaC19H21FN2O5
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Namemethyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CNC(=O)Cc2cccc(F)c2)oc1C
InChIInChI=1S/C19H21FN2O5/c1-12-16(19(25)26-3)9-15(27-12)11-22(2)18(24)10-21-17(23)8-13-5-4-6-14(20)7-13/h4-7,9H,8,10-11H2,1-3H3,(H,21,23)
InChIKeyUNJWKHDZYCBZSO-UHFFFAOYSA-N
XLogP1.83
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

5-[[[2-(3-fluorophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222738
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
methyl 5-[[(4-fluoro-1-benzothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484572
methyl 5-[[[2-(4-acetamidophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34483785
methyl 5-[[3-(2-fluorophenyl)sulfanylpropanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134016310
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 87002258
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 55789158) is methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CNC(=O)Cc2cccc(F)c2)oc1C.
What is the InChIKey of methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is UNJWKHDZYCBZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5/c1-12-16(19(25)26-3)9-15(27-12)11-22(2)18(24)10-21-17(23)8-13-5-4-6-14(20)7-13/h4-7,9H,8,10-11H2,1-3H3,(H,21,23).
What are the key properties of methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 55789158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).