[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate

C18H19NO4 — CID 18198939

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c(C)o1
InChIInChI=1S/C18H19NO4/c1-11-10-15(12(2)22-11)18(21)23-16(13-6-4-3-5-7-13)17(20)19-14-8-9-14/h3-7,10,14,16H,8-9H2,1-2H3,(H,19,20)
InChIKeyXLUHSIPVNFDGRB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.07
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 18198939) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID18198939
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c(C)o1
InChIInChI=1S/C18H19NO4/c1-11-10-15(12(2)22-11)18(21)23-16(13-6-4-3-5-7-13)17(20)19-14-8-9-14/h3-7,10,14,16H,8-9H2,1-2H3,(H,19,20)
InChIKeyXLUHSIPVNFDGRB-UHFFFAOYSA-N
XLogP3.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 8860974
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646842
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate
CID 55391996
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 8603248
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-acetamido-2-hydroxybenzoate
CID 95048471
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724694
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 27724693

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate (CID 18198939) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)c(C)o1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is XLUHSIPVNFDGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-10-15(12(2)22-11)18(21)23-16(13-6-4-3-5-7-13)17(20)19-14-8-9-14/h3-7,10,14,16H,8-9H2,1-2H3,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 18198939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).