[2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H19NO4 — CID 2416662

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(C)o1
InChIInChI=1S/C17H19NO4/c1-12-9-15(13(2)22-12)17(20)21-11-16(19)18(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyRBUUYPVDUPMTCH-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.71
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2416662) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2416662
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(C)o1
InChIInChI=1S/C17H19NO4/c1-12-9-15(13(2)22-12)17(20)21-11-16(19)18(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3
InChIKeyRBUUYPVDUPMTCH-UHFFFAOYSA-N
XLogP2.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2416662) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(C)o1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is RBUUYPVDUPMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-9-15(13(2)22-12)17(20)21-11-16(19)18(3)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2416662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).