N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide

C22H23NO2 — CID 10711714

IUPACN-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide
SMILESCN(CC(CCO)c1ccc2ccccc2c1)C(=O)c1ccccc1
InChIInChI=1S/C22H23NO2/c1-23(22(25)18-8-3-2-4-9-18)16-21(13-14-24)20-12-11-17-7-5-6-10-19(17)15-20/h2-12,15,21,24H,13-14,16H2,1H3
InChIKeyUQWQKBYIUOHMCI-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.08
Rot. Bonds6

About N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide

N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide (PubChem CID 10711714) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide
PubChem CID10711714
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide
SMILESCN(CC(CCO)c1ccc2ccccc2c1)C(=O)c1ccccc1
InChIInChI=1S/C22H23NO2/c1-23(22(25)18-8-3-2-4-9-18)16-21(13-14-24)20-12-11-17-7-5-6-10-19(17)15-20/h2-12,15,21,24H,13-14,16H2,1H3
InChIKeyUQWQKBYIUOHMCI-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide?
The IUPAC name of N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide (CID 10711714) is N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide is CN(CC(CCO)c1ccc2ccccc2c1)C(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide?
The InChIKey is UQWQKBYIUOHMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-23(22(25)18-8-3-2-4-9-18)16-21(13-14-24)20-12-11-17-7-5-6-10-19(17)15-20/h2-12,15,21,24H,13-14,16H2,1H3.
What are the key properties of N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide?
N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-naphthalen-2-ylbutyl)-N-methylbenzamide is sourced from PubChem (CID 10711714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).