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

C19H19NO4 — CID 7971864

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-3-18(22)20-16-10-8-14(9-11-16)17(21)12-24-19(23)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyIFISIHCPAJMSKM-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.38
Rot. Bonds6

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

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate (PubChem CID 7971864) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
PubChem CID7971864
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-3-18(22)20-16-10-8-14(9-11-16)17(21)12-24-19(23)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyIFISIHCPAJMSKM-UHFFFAOYSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-methylbenzoate
CID 7971861
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 46680941
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801042
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502089
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4,5-trimethoxybenzoate
CID 7394924
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate (CID 7971864) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate?
The InChIKey is IFISIHCPAJMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-18(22)20-16-10-8-14(9-11-16)17(21)12-24-19(23)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate has a molecular weight of 325.36 g/mol, XLogP of 3.38, 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] 4-methylbenzoate is sourced from PubChem (CID 7971864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).