N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide

C20H19NO3 — CID 56764104

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H19NO3/c1-24-16-9-4-8-15(12-16)20(23)21-13-19(22)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,19,22H,13H2,1H3,(H,21,23)
InChIKeyCKMJLYOKYYVVKY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide (PubChem CID 56764104) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
PubChem CID56764104
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H19NO3/c1-24-16-9-4-8-15(12-16)20(23)21-13-19(22)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,19,22H,13H2,1H3,(H,21,23)
InChIKeyCKMJLYOKYYVVKY-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
CID 95367204
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
CID 90497307
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-methoxybenzamide
CID 111427450
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
3-(cyanomethyl)-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 60508902
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
CID 90497285
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide (CID 56764104) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC(O)c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide?
The InChIKey is CKMJLYOKYYVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-16-9-4-8-15(12-16)20(23)21-13-19(22)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,19,22H,13H2,1H3,(H,21,23).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide is sourced from PubChem (CID 56764104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).