[2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C15H21NO4 — CID 2370446

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCCCC2)c(C)o1
InChIInChI=1S/C15H21NO4/c1-10-8-13(11(2)20-10)15(18)19-9-14(17)16-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyYMLUAWLZRZKKMM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.50
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2370446) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2370446
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CCCCC2)c(C)o1
InChIInChI=1S/C15H21NO4/c1-10-8-13(11(2)20-10)15(18)19-9-14(17)16-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyYMLUAWLZRZKKMM-UHFFFAOYSA-N
XLogP2.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2370446) is [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)NC2CCCCC2)c(C)o1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is YMLUAWLZRZKKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-8-13(11(2)20-10)15(18)19-9-14(17)16-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2370446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).