[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate

C21H20N2O5 — CID 2998383

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C21H20N2O5/c24-20(22-13-19-7-4-12-26-19)14-28-21(25)15-27-18-10-8-17(9-11-18)23-16-5-2-1-3-6-16/h1-12,23H,13-15H2,(H,22,24)
InChIKeyIJTXTUYQRHKQDC-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.26
Rot. Bonds9

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (PubChem CID 2998383) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
PubChem CID2998383
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C21H20N2O5/c24-20(22-13-19-7-4-12-26-19)14-28-21(25)15-27-18-10-8-17(9-11-18)23-16-5-2-1-3-6-16/h1-12,23H,13-15H2,(H,22,24)
InChIKeyIJTXTUYQRHKQDC-UHFFFAOYSA-N
XLogP3.26
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate 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-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (CID 2998383) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is O=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The InChIKey is IJTXTUYQRHKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c24-20(22-13-19-7-4-12-26-19)14-28-21(25)15-27-18-10-8-17(9-11-18)23-16-5-2-1-3-6-16/h1-12,23H,13-15H2,(H,22,24).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate has a molecular weight of 380.40 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 2998383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).