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

C17H16N2O5 — CID 2629619

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O5/c20-14-9-5-4-8-13(14)16(22)24-11-15(21)19-17(23)18-10-12-6-2-1-3-7-12/h1-9,20H,10-11H2,(H2,18,19,21,23)
InChIKeyCUIRWOMIPHHQBF-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.58
Rot. Bonds5

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

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2629619) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2629619
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O5/c20-14-9-5-4-8-13(14)16(22)24-11-15(21)19-17(23)18-10-12-6-2-1-3-7-12/h1-9,20H,10-11H2,(H2,18,19,21,23)
InChIKeyCUIRWOMIPHHQBF-UHFFFAOYSA-N
XLogP1.58
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 2629619) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is CUIRWOMIPHHQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c20-14-9-5-4-8-13(14)16(22)24-11-15(21)19-17(23)18-10-12-6-2-1-3-7-12/h1-9,20H,10-11H2,(H2,18,19,21,23).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 328.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2629619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).