[2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate

C19H19NO4 — CID 887497

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C
InChIInChI=1S/C19H19NO4/c1-12-4-7-15(8-5-12)18(22)11-24-19(23)16-9-6-13(2)17(10-16)20-14(3)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyMPOLNFPMQJQWSP-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.30
Rot. Bonds5

About [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate

[2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate (PubChem CID 887497) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate
PubChem CID887497
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C
InChIInChI=1S/C19H19NO4/c1-12-4-7-15(8-5-12)18(22)11-24-19(23)16-9-6-13(2)17(10-16)20-14(3)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyMPOLNFPMQJQWSP-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate (CID 887497) is [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate is CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
The InChIKey is MPOLNFPMQJQWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-4-7-15(8-5-12)18(22)11-24-19(23)16-9-6-13(2)17(10-16)20-14(3)21/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate?
[2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate has a molecular weight of 325.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 3-acetamido-4-methylbenzoate is sourced from PubChem (CID 887497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).