N-tert-butylnaphthalene-2-carboxamide

C15H17NO — CID 667724

IUPACN-tert-butylnaphthalene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO/c1-15(2,3)16-14(17)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,16,17)
InChIKeyGNUOLOZPACRWMI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.37
Rot. Bonds1

About N-tert-butylnaphthalene-2-carboxamide

N-tert-butylnaphthalene-2-carboxamide (PubChem CID 667724) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-tert-butylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butylnaphthalene-2-carboxamide
PubChem CID667724
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-tert-butylnaphthalene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO/c1-15(2,3)16-14(17)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,16,17)
InChIKeyGNUOLOZPACRWMI-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylnaphthalene-2-carboxamide?
The IUPAC name of N-tert-butylnaphthalene-2-carboxamide (CID 667724) is N-tert-butylnaphthalene-2-carboxamide.
What is the SMILES notation for N-tert-butylnaphthalene-2-carboxamide?
The canonical SMILES for N-tert-butylnaphthalene-2-carboxamide is CC(C)(C)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-tert-butylnaphthalene-2-carboxamide?
The InChIKey is GNUOLOZPACRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(2,3)16-14(17)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3,(H,16,17).
What are the key properties of N-tert-butylnaphthalene-2-carboxamide?
N-tert-butylnaphthalene-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylnaphthalene-2-carboxamide is sourced from PubChem (CID 667724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).