[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate

C21H22N2O5 — CID 3829044

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C21H22N2O5/c1-14-8-9-15(2)17(10-14)18(24)13-28-20(26)12-22-19(25)11-23-21(27)16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyQDFVFAXPQBHZNU-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.58
Rot. Bonds8

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate (PubChem CID 3829044) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
PubChem CID3829044
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccccc2)c1
InChIInChI=1S/C21H22N2O5/c1-14-8-9-15(2)17(10-14)18(24)13-28-20(26)12-22-19(25)11-23-21(27)16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyQDFVFAXPQBHZNU-UHFFFAOYSA-N
XLogP1.58
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[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-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066280
(2-naphthalen-1-yl-2-oxoethyl) 2-[(4-methylbenzoyl)amino]acetate
CID 40618352
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755342
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3499042
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7603617

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate (CID 3829044) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate is Cc1ccc(C)c(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate?
The InChIKey is QDFVFAXPQBHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-8-9-15(2)17(10-14)18(24)13-28-20(26)12-22-19(25)11-23-21(27)16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate has a molecular weight of 382.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate is sourced from PubChem (CID 3829044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).