6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H21NO — CID 58124080

IUPAC6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(C)c1ccc2c(c1)CCC(C(N)=O)C2
InChIInChI=1S/C15H21NO/c1-15(2,3)13-7-6-10-8-12(14(16)17)5-4-11(10)9-13/h6-7,9,12H,4-5,8H2,1-3H3,(H2,16,17)
InChIKeyFRPBGWCURBIERT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.57
Rot. Bonds1

About 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58124080) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58124080
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)(C)c1ccc2c(c1)CCC(C(N)=O)C2
InChIInChI=1S/C15H21NO/c1-15(2,3)13-7-6-10-8-12(14(16)17)5-4-11(10)9-13/h6-7,9,12H,4-5,8H2,1-3H3,(H2,16,17)
InChIKeyFRPBGWCURBIERT-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58124080) is 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)(C)c1ccc2c(c1)CCC(C(N)=O)C2.
What is the InChIKey of 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FRPBGWCURBIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)13-7-6-10-8-12(14(16)17)5-4-11(10)9-13/h6-7,9,12H,4-5,8H2,1-3H3,(H2,16,17).
What are the key properties of 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58124080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).