[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate

C14H19NO4 — CID 9417711

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H19NO4/c1-4-15-13(16)10(3)19-14(17)11-6-8-12(9-7-11)18-5-2/h6-10H,4-5H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyDAWHLHISGPVKNX-SNVBAGLBSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds6

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate (PubChem CID 9417711) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
PubChem CID9417711
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H19NO4/c1-4-15-13(16)10(3)19-14(17)11-6-8-12(9-7-11)18-5-2/h6-10H,4-5H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyDAWHLHISGPVKNX-SNVBAGLBSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 8600945
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 15978144
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585392
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 8736375
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751650
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8641565
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 8979150
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751729

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate (CID 9417711) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate is CCNC(=O)[C@@H](C)OC(=O)c1ccc(OCC)cc1.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The InChIKey is DAWHLHISGPVKNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15-13(16)10(3)19-14(17)11-6-8-12(9-7-11)18-5-2/h6-10H,4-5H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate is sourced from PubChem (CID 9417711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).