[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate

C15H21NO2 — CID 102439446

IUPAC[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)O[C@H]1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-2-3-11-16-15(17)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,2-3,6,8,10-11H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyJHPYQHZOOKTPKC-AWEZNQCLSA-N
MW247.34 g/mol
LogP3.59
Rot. Bonds4

About [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate

[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate (PubChem CID 102439446) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate.

Molecular Properties

Compound Name[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
PubChem CID102439446
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
SMILESCCCCNC(=O)O[C@H]1CCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-2-3-11-16-15(17)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,2-3,6,8,10-11H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyJHPYQHZOOKTPKC-AWEZNQCLSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate?
The IUPAC name of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate (CID 102439446) is [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate.
What is the SMILES notation for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate?
The canonical SMILES for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate is CCCCNC(=O)O[C@H]1CCCc2ccccc21.
What is the InChIKey of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate?
The InChIKey is JHPYQHZOOKTPKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-11-16-15(17)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,2-3,6,8,10-11H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate?
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate is sourced from PubChem (CID 102439446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).