[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate

C15H19NO4 — CID 7782413

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-4-14(18)16-12-7-5-11(6-8-12)13(17)9-20-15(19)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyBXKKOMMZOYLYCG-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.42
Rot. Bonds6

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate (PubChem CID 7782413) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
PubChem CID7782413
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-4-14(18)16-12-7-5-11(6-8-12)13(17)9-20-15(19)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,18)
InChIKeyBXKKOMMZOYLYCG-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772639
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566368
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932317
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801042
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate (CID 7782413) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate is CCC(=O)Nc1ccc(C(=O)COC(=O)C(C)C)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate?
The InChIKey is BXKKOMMZOYLYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-14(18)16-12-7-5-11(6-8-12)13(17)9-20-15(19)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,18).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate has a molecular weight of 277.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate is sourced from PubChem (CID 7782413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).