[2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

C17H16N2O6 — CID 2647203

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O6/c20-12-6-7-13(14(21)8-12)16(23)25-10-15(22)19-17(24)18-9-11-4-2-1-3-5-11/h1-8,20-21H,9-10H2,(H2,18,19,22,24)
InChIKeyLDLNGJHCLDXUFC-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.28
Rot. Bonds5

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2647203) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2647203
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O6/c20-12-6-7-13(14(21)8-12)16(23)25-10-15(22)19-17(24)18-9-11-4-2-1-3-5-11/h1-8,20-21H,9-10H2,(H2,18,19,22,24)
InChIKeyLDLNGJHCLDXUFC-UHFFFAOYSA-N
XLogP1.28
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2647203) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is LDLNGJHCLDXUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6/c20-12-6-7-13(14(21)8-12)16(23)25-10-15(22)19-17(24)18-9-11-4-2-1-3-5-11/h1-8,20-21H,9-10H2,(H2,18,19,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 344.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2647203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).