[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate

C15H21NO3 — CID 7851287

IUPAC[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-5-14(17)19-11(4)15(18)16-13-8-6-12(7-9-13)10(2)3/h6-11H,5H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyRDWZHFXUSMDWBR-LLVKDONJSA-N
MW263.34 g/mol
LogP3.09
Rot. Bonds5

About [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate (PubChem CID 7851287) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate
PubChem CID7851287
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-5-14(17)19-11(4)15(18)16-13-8-6-12(7-9-13)10(2)3/h6-11H,5H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyRDWZHFXUSMDWBR-LLVKDONJSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] propanoate
CID 7851109
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-methoxyacetate
CID 8018761
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065898
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 6-(carbamoylamino)hexanoate
CID 8861348
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
CID 18270404
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42121890
[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate
CID 23971941
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate?
The IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate (CID 7851287) is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate is CCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate?
The InChIKey is RDWZHFXUSMDWBR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-14(17)19-11(4)15(18)16-13-8-6-12(7-9-13)10(2)3/h6-11H,5H2,1-4H3,(H,16,18)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate?
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate has a molecular weight of 263.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate is sourced from PubChem (CID 7851287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).