3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide

C18H23NO2 — CID 115325898

IUPAC3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H23NO2/c1-13(2)7-5-6-10-19-18(21)16-11-14-8-3-4-9-15(14)12-17(16)20/h3-4,8-9,11-13,20H,5-7,10H2,1-2H3,(H,19,21)
InChIKeyVMZVQGANXRWMFC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.10
Rot. Bonds6

About 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide

3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide (PubChem CID 115325898) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
PubChem CID115325898
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H23NO2/c1-13(2)7-5-6-10-19-18(21)16-11-14-8-3-4-9-15(14)12-17(16)20/h3-4,8-9,11-13,20H,5-7,10H2,1-2H3,(H,19,21)
InChIKeyVMZVQGANXRWMFC-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide
CID 155970084
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
N-(2-cyclopropylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 115591184
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide (CID 115325898) is 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide is CC(C)CCCCNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide?
The InChIKey is VMZVQGANXRWMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)7-5-6-10-19-18(21)16-11-14-8-3-4-9-15(14)12-17(16)20/h3-4,8-9,11-13,20H,5-7,10H2,1-2H3,(H,19,21).
What are the key properties of 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide?
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115325898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).