[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate

C12H16N2O5 — CID 46649045

IUPAC[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccoc1
InChIInChI=1S/C12H16N2O5/c1-7(2)13-12(17)14-10(15)8(3)19-11(16)9-4-5-18-6-9/h4-8H,1-3H3,(H2,13,14,15,17)
InChIKeyLNSCYOCYNHKFRG-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.06
Rot. Bonds4

About [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate (PubChem CID 46649045) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate
PubChem CID46649045
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccoc1
InChIInChI=1S/C12H16N2O5/c1-7(2)13-12(17)14-10(15)8(3)19-11(16)9-4-5-18-6-9/h4-8H,1-3H3,(H2,13,14,15,17)
InChIKeyLNSCYOCYNHKFRG-UHFFFAOYSA-N
XLogP1.06
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-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

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-acetamidobenzoate
CID 46619972
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 46616954
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 27531171
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate
CID 55503441
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] furan-3-carboxylate
CID 42923579
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8545315
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 46629857
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8550389
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
CID 46620713
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 46627474
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 8958877
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 26732079

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate?
The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate (CID 46649045) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate?
The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate is CC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccoc1.
What is the InChIKey of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate?
The InChIKey is LNSCYOCYNHKFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(2)13-12(17)14-10(15)8(3)19-11(16)9-4-5-18-6-9/h4-8H,1-3H3,(H2,13,14,15,17).
What are the key properties of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate?
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] furan-3-carboxylate is sourced from PubChem (CID 46649045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).