[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate

C18H17NO4 — CID 955166

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4/c1-12-7-9-14(10-8-12)17(21)11-23-18(22)15-5-3-4-6-16(15)19-13(2)20/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyUYOQWCQTCLAKIQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.99
Rot. Bonds5

About [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate

[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate (PubChem CID 955166) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
PubChem CID955166
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4/c1-12-7-9-14(10-8-12)17(21)11-23-18(22)15-5-3-4-6-16(15)19-13(2)20/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyUYOQWCQTCLAKIQ-UHFFFAOYSA-N
XLogP2.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 27354846
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
ethyl 2-[[2-[4-(4-methylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 24979171
[2-(4-methylphenyl)-2-oxoethyl] 2-nitrobenzoate
CID 789329
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
CID 902764
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-nitrobenzoyl)amino]benzoate
CID 23934195
[2-(4-methylphenyl)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate
CID 2340347
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7832261

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate (CID 955166) is [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate?
The InChIKey is UYOQWCQTCLAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-7-9-14(10-8-12)17(21)11-23-18(22)15-5-3-4-6-16(15)19-13(2)20/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate?
[2-(4-methylphenyl)-2-oxoethyl] 2-acetamidobenzoate has a molecular weight of 311.34 g/mol, XLogP of 2.99, 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] 2-acetamidobenzoate is sourced from PubChem (CID 955166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).