[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate

C18H17NO4 — CID 2621635

IUPAC[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-2-19-16(20)12-23-18(22)15-11-7-6-10-14(15)17(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyVZCGXWCIRFNRKG-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.21
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate

[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2621635) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2621635
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-2-19-16(20)12-23-18(22)15-11-7-6-10-14(15)17(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyVZCGXWCIRFNRKG-UHFFFAOYSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621703
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621778
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-benzoylbenzoate
CID 2621831
[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
CID 2591123
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
2-methylpropyl 2-benzoylbenzoate
CID 142743650
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate (CID 2621635) is [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate is CCNC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is VZCGXWCIRFNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-19-16(20)12-23-18(22)15-11-7-6-10-14(15)17(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 311.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2621635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).