[2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C26H21NO4 — CID 2350993

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NO4/c28-23-16-21-14-8-7-13-20(21)15-22(23)26(30)31-17-24(29)27-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,25,28H,17H2,(H,27,29)
InChIKeyVJVHENGHKNPXMY-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.61
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2350993) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2350993
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NO4/c28-23-16-21-14-8-7-13-20(21)15-22(23)26(30)31-17-24(29)27-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,25,28H,17H2,(H,27,29)
InChIKeyVJVHENGHKNPXMY-UHFFFAOYSA-N
XLogP4.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2350993) is [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1cc2ccccc2cc1O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is VJVHENGHKNPXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c28-23-16-21-14-8-7-13-20(21)15-22(23)26(30)31-17-24(29)27-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,25,28H,17H2,(H,27,29).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 411.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2350993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).