N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide

C18H21NO3 — CID 111112227

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C18H21NO3/c20-17(12-19-18(21)14-7-9-22-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14,17,20H,7-10,12H2,(H,19,21)
InChIKeyFXVMXYGJGDCYSG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide (PubChem CID 111112227) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
PubChem CID111112227
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C18H21NO3/c20-17(12-19-18(21)14-7-9-22-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14,17,20H,7-10,12H2,(H,19,21)
InChIKeyFXVMXYGJGDCYSG-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 120786041
(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
(2S)-1-acetyl-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97227605
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]oxane-4-carboxamide
CID 95988654

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide (CID 111112227) is N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide is O=C(NCC(O)c1ccc2ccccc2c1)C1CCOCC1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide?
The InChIKey is FXVMXYGJGDCYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-17(12-19-18(21)14-7-9-22-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16/h1-6,11,14,17,20H,7-10,12H2,(H,19,21).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.42, 4 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-2-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 111112227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).