[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate

C14H18N2O5 — CID 2563950

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C14H18N2O5/c1-2-20-10-13(18)21-9-12(17)16-14(19)15-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,17,19)
InChIKeyFVLFETRBHFZZTK-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.59
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate (PubChem CID 2563950) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
PubChem CID2563950
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C14H18N2O5/c1-2-20-10-13(18)21-9-12(17)16-14(19)15-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,17,19)
InChIKeyFVLFETRBHFZZTK-UHFFFAOYSA-N
XLogP0.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593757
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2583376
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321524
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509496
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251322
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 55322986
[2-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362332

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate (CID 2563950) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is FVLFETRBHFZZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-20-10-13(18)21-9-12(17)16-14(19)15-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,17,19).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 294.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 2563950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).