[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate

C17H17NO4 — CID 46824904

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)o1
InChIInChI=1S/C17H17NO4/c1-11-7-10-14(21-11)17(20)22-15(12-5-3-2-4-6-12)16(19)18-13-8-9-13/h2-7,10,13,15H,8-9H2,1H3,(H,18,19)
InChIKeyLIHSPUIPOSUUSX-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.76
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate (PubChem CID 46824904) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
PubChem CID46824904
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)o1
InChIInChI=1S/C17H17NO4/c1-11-7-10-14(21-11)17(20)22-15(12-5-3-2-4-6-12)16(19)18-13-8-9-13/h2-7,10,13,15H,8-9H2,1H3,(H,18,19)
InChIKeyLIHSPUIPOSUUSX-UHFFFAOYSA-N
XLogP2.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 17437026
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate (CID 46824904) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)o1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate?
The InChIKey is LIHSPUIPOSUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-7-10-14(21-11)17(20)22-15(12-5-3-2-4-6-12)16(19)18-13-8-9-13/h2-7,10,13,15H,8-9H2,1H3,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.76, 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] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 46824904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).