[2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate

C17H19NO4 — CID 2641994

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCc2ccccc2)c(C)o1
InChIInChI=1S/C17H19NO4/c1-12-10-15(13(2)22-12)17(20)21-11-16(19)18-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyUGGYAXDUUZCUCS-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.41
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2641994) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2641994
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCc2ccccc2)c(C)o1
InChIInChI=1S/C17H19NO4/c1-12-10-15(13(2)22-12)17(20)21-11-16(19)18-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyUGGYAXDUUZCUCS-UHFFFAOYSA-N
XLogP2.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2362895
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434453
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
[2-[(4-Methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419328
[2-[(2-Methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7560571
[(1-Cyanocyclohexyl)carbamoyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 7844497
[1-(Cyclohexylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 16301835
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
Furan-2-carboxylic acid (2-methoxy-ethylcarbamoyl)-(2-methoxy-phenyl)-methyl ester
CID 644560
Methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
CID 891719
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 2344906
[2-(Cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2370446

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate (CID 2641994) is [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)NCCc2ccccc2)c(C)o1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is UGGYAXDUUZCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-10-15(13(2)22-12)17(20)21-11-16(19)18-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2641994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).