N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide

C17H21NO3 — CID 110003171

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO3/c1-17(9-10-19,12-21-2)18-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,19H,9-10,12H2,1-2H3,(H,18,20)
InChIKeyHQSWXWXGEILRBR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.36
Rot. Bonds6

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide (PubChem CID 110003171) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
PubChem CID110003171
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO3/c1-17(9-10-19,12-21-2)18-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,19H,9-10,12H2,1-2H3,(H,18,20)
InChIKeyHQSWXWXGEILRBR-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
CID 64672120
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110002893

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide (CID 110003171) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide is COCC(C)(CCO)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide?
The InChIKey is HQSWXWXGEILRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(9-10-19,12-21-2)18-16(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,19H,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 110003171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).