ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate

C16H22N2O5 — CID 8890433

IUPACethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate
SMILESCCOC(=O)c1cccc(O[C@H](C)C(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C16H22N2O5/c1-5-22-15(20)12-7-6-8-13(9-12)23-11(4)14(19)18-16(21)17-10(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,21)/t11-/m1/s1
InChIKeyROIXFMBSDZKGAY-LLVKDONJSA-N
MW322.36 g/mol
LogP1.86
Rot. Bonds6

About ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate

ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate (PubChem CID 8890433) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate.

Molecular Properties

Compound Nameethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate
PubChem CID8890433
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Nameethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate
SMILESCCOC(=O)c1cccc(O[C@H](C)C(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C16H22N2O5/c1-5-22-15(20)12-7-6-8-13(9-12)23-11(4)14(19)18-16(21)17-10(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,21)/t11-/m1/s1
InChIKeyROIXFMBSDZKGAY-LLVKDONJSA-N
XLogP1.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate with MolForge

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Related Compounds

ethyl 3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78659294
butyl 4-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate
CID 8934746
ethyl 3-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7695121
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
ethyl 3-[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890406
diethyl benzene-1,3-dicarboxylate
CID 12491
CID 66714636
CID 66714636
diethyl 5-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740613
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718348

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate?
The IUPAC name of ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate (CID 8890433) is ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate.
What is the SMILES notation for ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate?
The canonical SMILES for ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate is CCOC(=O)c1cccc(O[C@H](C)C(=O)NC(=O)NC(C)C)c1.
What is the InChIKey of ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate?
The InChIKey is ROIXFMBSDZKGAY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-5-22-15(20)12-7-6-8-13(9-12)23-11(4)14(19)18-16(21)17-10(2)3/h6-11H,5H2,1-4H3,(H2,17,18,19,21)/t11-/m1/s1.
What are the key properties of ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate?
ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate has a molecular weight of 322.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]oxybenzoate is sourced from PubChem (CID 8890433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).