[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate

C19H19NO4 — CID 8708822

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H19NO4/c1-12-4-5-16(10-13(12)2)19(23)24-11-18(22)15-6-8-17(9-7-15)20-14(3)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyDRQPWOXTEUILQV-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.30
Rot. Bonds5

About [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 8708822) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID8708822
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H19NO4/c1-12-4-5-16(10-13(12)2)19(23)24-11-18(22)15-6-8-17(9-7-15)20-14(3)21/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyDRQPWOXTEUILQV-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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Related Compounds

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7560345
[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656999
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
[2-(4-acetamidophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792042
[2-(4-acetamidophenyl)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125757
[2-(4-acetamidophenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567867
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386942
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520958
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate (CID 8708822) is [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is DRQPWOXTEUILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-4-5-16(10-13(12)2)19(23)24-11-18(22)15-6-8-17(9-7-15)20-14(3)21/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate 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-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 8708822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).