2-[benzyl(methyl)amino]ethyl furan-2-carboxylate

C15H17NO3 — CID 805821

IUPAC2-[benzyl(methyl)amino]ethyl furan-2-carboxylate
SMILESCN(CCOC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-16(12-13-6-3-2-4-7-13)9-11-19-15(17)14-8-5-10-18-14/h2-8,10H,9,11-12H2,1H3
InChIKeyGJJQKYCKPLVBRP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds6

About 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate

2-[benzyl(methyl)amino]ethyl furan-2-carboxylate (PubChem CID 805821) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]ethyl furan-2-carboxylate
PubChem CID805821
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[benzyl(methyl)amino]ethyl furan-2-carboxylate
SMILESCN(CCOC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-16(12-13-6-3-2-4-7-13)9-11-19-15(17)14-8-5-10-18-14/h2-8,10H,9,11-12H2,1H3
InChIKeyGJJQKYCKPLVBRP-UHFFFAOYSA-N
XLogP2.57
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl(methyl)amino]ethyl furan-2-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]ethyl furan-2-carboxylate?
The IUPAC name of 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate (CID 805821) is 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate.
What is the SMILES notation for 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate?
The canonical SMILES for 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate is CN(CCOC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate?
The InChIKey is GJJQKYCKPLVBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16(12-13-6-3-2-4-7-13)9-11-19-15(17)14-8-5-10-18-14/h2-8,10H,9,11-12H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate?
2-[benzyl(methyl)amino]ethyl furan-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]ethyl furan-2-carboxylate is sourced from PubChem (CID 805821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).