2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

C15H20N2O2 — CID 173232200

IUPAC2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCc2ccccc2C1C(N)=O
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14(19)17-9-8-10-6-4-5-7-11(10)12(17)13(16)18/h4-7,12H,8-9H2,1-3H3,(H2,16,18)
InChIKeyXAJYGVTZHYSOIF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds1

About 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 173232200) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID173232200
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCc2ccccc2C1C(N)=O
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14(19)17-9-8-10-6-4-5-7-11(10)12(17)13(16)18/h4-7,12H,8-9H2,1-3H3,(H2,16,18)
InChIKeyXAJYGVTZHYSOIF-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 126750078
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232405
2-(4-methyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232159
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
1-[(1R)-1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 92758297
2-(1-acetylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232723
1-[1-(1-hydroxy-2-phenylethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 612159
tert-butyl 3-[[2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]-2-methyl-6-oxopyridine-1-carboxylate
CID 68713465
2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 136563678
2,2-dimethyl-1-[1-(2-methylpropanoyl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 118351447
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 173232200) is 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide is CC(C)(C)C(=O)N1CCc2ccccc2C1C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is XAJYGVTZHYSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)14(19)17-9-8-10-6-4-5-7-11(10)12(17)13(16)18/h4-7,12H,8-9H2,1-3H3,(H2,16,18).
What are the key properties of 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 173232200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).