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

C16H15NO4 — CID 7485178

IUPAC[2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-14-9-5-4-8-13(14)16(20)21-11-15(19)17-10-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)
InChIKeyKLIVLVCMYWXVAQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.87
Rot. Bonds5

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

[2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 7485178) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID7485178
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-14-9-5-4-8-13(14)16(20)21-11-15(19)17-10-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)
InChIKeyKLIVLVCMYWXVAQ-UHFFFAOYSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate (CID 7485178) is [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is KLIVLVCMYWXVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14-9-5-4-8-13(14)16(20)21-11-15(19)17-10-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate?
[2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 7485178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).