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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Related Compounds

2-Naphthalenyl-1-piperidinylmethanone
CID 593461
N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)[2-(naphthalen-2-yl)propan-2-yl]carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide
CID 461061
(4-Methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 883764
(3,5-Dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 24686521
3-[4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid
CID 10599697
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
CID 10649344
N,N-Diethyl-4-phenylnaphthalene-2-carboxamide
CID 13272349
N-[(1-benzylpiperidin-3-yl)methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 137635625
N-[(1-benzylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 137651676
N-(4-hydroxybutyl)-1,2-dihydro-5-acenaphthylenecarboxamide
CID 2230087
1-(naphthalene-1-carbonyl)piperidine-4-carboxylic Acid
CID 7131654
(R)-2-(2-naphthamido)-3-m-tolylpropanoic acid
CID 46884012

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).