N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C16H23NO2 — CID 107318401

IUPACN-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NCCCCCO)C1CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c18-12-5-1-4-11-17-16(19)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15,18H,1,4-6,8,10-12H2,(H,17,19)
InChIKeyVPQDQUQAXPVJEJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.39
Rot. Bonds6

About N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 107318401) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID107318401
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NCCCCCO)C1CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c18-12-5-1-4-11-17-16(19)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15,18H,1,4-6,8,10-12H2,(H,17,19)
InChIKeyVPQDQUQAXPVJEJ-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.39
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-(4-hydroxybutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106843816
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-(4-hydroxybutyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 106843262
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 107318401) is N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(NCCCCCO)C1CCCc2ccccc21.
What is the InChIKey of N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is VPQDQUQAXPVJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-12-5-1-4-11-17-16(19)15-10-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15,18H,1,4-6,8,10-12H2,(H,17,19).
What are the key properties of N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 107318401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).