[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate

C18H20N2O5 — CID 8993265

IUPAC[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESCCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N2O5/c1-3-10-19-16(21)12(2)25-18(23)13-6-8-14(9-7-13)20-17(22)15-5-4-11-24-15/h4-9,11-12H,3,10H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyFDOUZAFGNYTTQW-LBPRGKRZSA-N
MW344.37 g/mol
LogP2.60
Rot. Bonds7

About [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate

[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8993265) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8993265
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
SMILESCCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H20N2O5/c1-3-10-19-16(21)12(2)25-18(23)13-6-8-14(9-7-13)20-17(22)15-5-4-11-24-15/h4-9,11-12H,3,10H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyFDOUZAFGNYTTQW-LBPRGKRZSA-N
XLogP2.60
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate 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

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 46625347
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909413
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 55422783
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8946163
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909697

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate (CID 8993265) is [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate is CCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is FDOUZAFGNYTTQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-10-19-16(21)12(2)25-18(23)13-6-8-14(9-7-13)20-17(22)15-5-4-11-24-15/h4-9,11-12H,3,10H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate?
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 344.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8993265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).