[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate

C17H19NO4 — CID 2673600

IUPAC[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
SMILESCc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C17H19NO4/c1-10-8-11(2)15(12(3)9-10)18-16(19)13(4)22-17(20)14-6-5-7-21-14/h5-9,13H,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyYVSHTASFOYMDNG-CYBMUJFWSA-N
MW301.34 g/mol
LogP3.39
Rot. Bonds4

About [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate (PubChem CID 2673600) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
PubChem CID2673600
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate
SMILESCc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C17H19NO4/c1-10-8-11(2)15(12(3)9-10)18-16(19)13(4)22-17(20)14-6-5-7-21-14/h5-9,13H,1-4H3,(H,18,19)/t13-/m1/s1
InChIKeyYVSHTASFOYMDNG-CYBMUJFWSA-N
XLogP3.39
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 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

Related Compounds

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2601027
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-methylbenzoate
CID 5101564
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506506
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 18169674
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7486717
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-hydroxybenzoate
CID 2624914
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(hydroxymethyl)benzoate
CID 2538186
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-bromobenzoate
CID 7478049
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-propan-2-ylbenzoate
CID 7969319

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate (CID 2673600) is [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate is Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccco2)c(C)c1.
What is the InChIKey of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate?
The InChIKey is YVSHTASFOYMDNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO4/c1-10-8-11(2)15(12(3)9-10)18-16(19)13(4)22-17(20)14-6-5-7-21-14/h5-9,13H,1-4H3,(H,18,19)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate?
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 2673600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).