N-isoquinolin-5-yl-2,2-dimethylpropanamide

C14H16N2O — CID 59028798

IUPACN-isoquinolin-5-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H16N2O/c1-14(2,3)13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-9H,1-3H3,(H,16,17)
InChIKeyULRAAMBNUGPUAG-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.22
Rot. Bonds1

About N-isoquinolin-5-yl-2,2-dimethylpropanamide

N-isoquinolin-5-yl-2,2-dimethylpropanamide (PubChem CID 59028798) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2,2-dimethylpropanamide
PubChem CID59028798
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-isoquinolin-5-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H16N2O/c1-14(2,3)13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-9H,1-3H3,(H,16,17)
InChIKeyULRAAMBNUGPUAG-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2,2-dimethylpropanamide?
The IUPAC name of N-isoquinolin-5-yl-2,2-dimethylpropanamide (CID 59028798) is N-isoquinolin-5-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-isoquinolin-5-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-isoquinolin-5-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-2,2-dimethylpropanamide?
The InChIKey is ULRAAMBNUGPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2,3)13(17)16-12-6-4-5-10-9-15-8-7-11(10)12/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-isoquinolin-5-yl-2,2-dimethylpropanamide?
N-isoquinolin-5-yl-2,2-dimethylpropanamide has a molecular weight of 228.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 59028798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).