[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate

C15H19NO3 — CID 2488778

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C15H19NO3/c1-10(2)12-5-3-4-6-13(12)16-14(17)9-19-15(18)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyUHCKJGKKUMORGL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.70
Rot. Bonds5

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate (PubChem CID 2488778) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
PubChem CID2488778
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C15H19NO3/c1-10(2)12-5-3-4-6-13(12)16-14(17)9-19-15(18)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKeyUHCKJGKKUMORGL-UHFFFAOYSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] adamantane-2-carboxylate
CID 8518436
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4803088
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7799027
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524567
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
N-(2-propan-2-ylphenyl)propanamide
CID 723442
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834198
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-methylbut-2-enoate
CID 2567186
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671847
2-piperidin-4-yloxy-N-(2-propan-2-ylphenyl)acetamide
CID 63877390
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate (CID 2488778) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate is CC(C)c1ccccc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate?
The InChIKey is UHCKJGKKUMORGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)12-5-3-4-6-13(12)16-14(17)9-19-15(18)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,16,17).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2488778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).