[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H19NO4 — CID 2584557

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C17H19NO4/c1-11-4-6-14(7-5-11)9-18-16(19)10-21-17(20)15-8-12(2)22-13(15)3/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyMNOXUVGEGMFVAG-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.68
Rot. Bonds5

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2584557) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2584557
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C17H19NO4/c1-11-4-6-14(7-5-11)9-18-16(19)10-21-17(20)15-8-12(2)22-13(15)3/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyMNOXUVGEGMFVAG-UHFFFAOYSA-N
XLogP2.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2584557) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1ccc(CNC(=O)COC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is MNOXUVGEGMFVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-4-6-14(7-5-11)9-18-16(19)10-21-17(20)15-8-12(2)22-13(15)3/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2584557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).