N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide

C18H23NO2 — CID 103899589

IUPACN-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-18(2,11-6-12-20)13-19-17(21)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,20H,6,11-13H2,1-2H3,(H,19,21)
InChIKeyMIGBPIJXYITIDA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide (PubChem CID 103899589) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
PubChem CID103899589
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-18(2,11-6-12-20)13-19-17(21)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,20H,6,11-13H2,1-2H3,(H,19,21)
InChIKeyMIGBPIJXYITIDA-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
CID 103900087
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 103900041
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-1-carboxamide
CID 103767307

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide (CID 103899589) is N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide is CC(C)(CCCO)CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide?
The InChIKey is MIGBPIJXYITIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,11-6-12-20)13-19-17(21)16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,20H,6,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide is sourced from PubChem (CID 103899589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).