[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate

C19H19NO4 — CID 2625404

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO4/c1-13-8-9-14(2)16(10-13)17(21)12-24-18(22)11-20-19(23)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQWGBRMNJOCUAQF-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.46
Rot. Bonds6

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2625404) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
PubChem CID2625404
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H19NO4/c1-13-8-9-14(2)16(10-13)17(21)12-24-18(22)11-20-19(23)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQWGBRMNJOCUAQF-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3829044
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 29179948
(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
CID 40618352
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7603617
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-benzamidoacetate
CID 7783390
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734573
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate (CID 2625404) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate is Cc1ccc(C)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is QWGBRMNJOCUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-8-9-14(2)16(10-13)17(21)12-24-18(22)11-20-19(23)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 325.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2625404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).