[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C16H16N2O5 — CID 2430426

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H16N2O5/c1-11-4-6-12(7-5-11)18-14(19)10-23-15(20)9-17-16(21)13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyMVJIUGFTXMOOKZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.50
Rot. Bonds6

About [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 2430426) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID2430426
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H16N2O5/c1-11-4-6-12(7-5-11)18-14(19)10-23-15(20)9-17-16(21)13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyMVJIUGFTXMOOKZ-UHFFFAOYSA-N
XLogP1.50
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)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-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 2430426) is [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is MVJIUGFTXMOOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11-4-6-12(7-5-11)18-14(19)10-23-15(20)9-17-16(21)13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 316.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 2430426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).