[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate

C20H21NO4 — CID 7783022

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
SMILESCCCc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-2-6-15-9-11-16(12-10-15)18(22)14-25-19(23)13-21-20(24)17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,24)
InChIKeyZBBJXWURRXYQEP-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.80
Rot. Bonds8

About [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate

[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate (PubChem CID 7783022) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
PubChem CID7783022
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
SMILESCCCc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-2-6-15-9-11-16(12-10-15)18(22)14-25-19(23)13-21-20(24)17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,24)
InChIKeyZBBJXWURRXYQEP-UHFFFAOYSA-N
XLogP2.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880376
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
CID 2067592
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7516811
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3499042
[2-(4-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883708
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
[2-[4-[(4-methyl-2-nitrophenyl)methyl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 90168199

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate (CID 7783022) is [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate is CCCc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate?
The InChIKey is ZBBJXWURRXYQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-6-15-9-11-16(12-10-15)18(22)14-25-19(23)13-21-20(24)17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,24).
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate?
[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate has a molecular weight of 339.39 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate is sourced from PubChem (CID 7783022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).