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

C19H18N2O5 — CID 2621703

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5/c1-2-20-19(25)21-16(22)12-26-18(24)15-11-7-6-10-14(15)17(23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,20,21,22,25)
InChIKeyZRJIKAOMEILSFI-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.92
Rot. Bonds6

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

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 2621703) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID2621703
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5/c1-2-20-19(25)21-16(22)12-26-18(24)15-11-7-6-10-14(15)17(23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,20,21,22,25)
InChIKeyZRJIKAOMEILSFI-UHFFFAOYSA-N
XLogP1.92
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511496
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540064
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066702
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564448
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate (CID 2621703) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate is CCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is ZRJIKAOMEILSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-2-20-19(25)21-16(22)12-26-18(24)15-11-7-6-10-14(15)17(23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,20,21,22,25).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 354.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 2621703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).