N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H25NO2 — CID 103861739

IUPACN-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NO2/c1-13(12-19)5-4-10-18-17(20)16-9-8-14-6-2-3-7-15(14)11-16/h8-9,11,13,19H,2-7,10,12H2,1H3,(H,18,20)
InChIKeyHIIWAIGJLUUYFL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.70
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 103861739) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID103861739
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NO2/c1-13(12-19)5-4-10-18-17(20)16-9-8-14-6-2-3-7-15(14)11-16/h8-9,11,13,19H,2-7,10,12H2,1H3,(H,18,20)
InChIKeyHIIWAIGJLUUYFL-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.70
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

N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862218
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 103861739) is N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(CO)CCCNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HIIWAIGJLUUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(12-19)5-4-10-18-17(20)16-9-8-14-6-2-3-7-15(14)11-16/h8-9,11,13,19H,2-7,10,12H2,1H3,(H,18,20).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 103861739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).