N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide

C19H17NO2 — CID 74080585

IUPACN-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide
SMILESO=C(NCc1ccccc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-18(19(22)20-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18,21H,13H2,(H,20,22)
InChIKeyXTDOKNYPYNKTML-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.19
Rot. Bonds4

About N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide

N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide (PubChem CID 74080585) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide
PubChem CID74080585
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC NameN-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide
SMILESO=C(NCc1ccccc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-18(19(22)20-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18,21H,13H2,(H,20,22)
InChIKeyXTDOKNYPYNKTML-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide?
The IUPAC name of N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide (CID 74080585) is N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide is O=C(NCc1ccccc1)C(O)c1cccc2ccccc12.
What is the InChIKey of N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide?
The InChIKey is XTDOKNYPYNKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18(19(22)20-13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18,21H,13H2,(H,20,22).
What are the key properties of N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide?
N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 74080585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).