(2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate

C21H17NO4 — CID 902723

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H17NO4/c1-14(23)22-19-9-5-4-8-18(19)21(25)26-13-20(24)17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,22,23)
InChIKeyGUOLXLXERAQASA-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.84
Rot. Bonds5

About (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate

(2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate (PubChem CID 902723) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate
PubChem CID902723
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H17NO4/c1-14(23)22-19-9-5-4-8-18(19)21(25)26-13-20(24)17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,22,23)
InChIKeyGUOLXLXERAQASA-UHFFFAOYSA-N
XLogP3.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate (CID 902723) is (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate?
The InChIKey is GUOLXLXERAQASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-14(23)22-19-9-5-4-8-18(19)21(25)26-13-20(24)17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate?
(2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate has a molecular weight of 347.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 2-acetamidobenzoate is sourced from PubChem (CID 902723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).