N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H21NO2 — CID 113492689

IUPACN-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(O)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-2-12(17)10-16-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14,17H,2,5,7,9-10H2,1H3,(H,16,18)
InChIKeyQCNZZUSZMOHPNQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds4

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

N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 113492689) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID113492689
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(O)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-2-12(17)10-16-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14,17H,2,5,7,9-10H2,1H3,(H,16,18)
InChIKeyQCNZZUSZMOHPNQ-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113496484
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
(1R)-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39977633
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 113492689) is N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC(O)CNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is QCNZZUSZMOHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12(17)10-16-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14,17H,2,5,7,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 113492689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).