N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide

C17H22N2O2 — CID 142430525

IUPACN-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide
SMILESCOc1ccc2c(N(C)C(=O)CC(C)(C)C)nccc2c1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)11-15(20)19(4)16-14-7-6-13(21-5)10-12(14)8-9-18-16/h6-10H,11H2,1-5H3
InChIKeyAJTHVNJGHYQXTN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.64
Rot. Bonds3

About N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide

N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide (PubChem CID 142430525) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide
PubChem CID142430525
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide
SMILESCOc1ccc2c(N(C)C(=O)CC(C)(C)C)nccc2c1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)11-15(20)19(4)16-14-7-6-13(21-5)10-12(14)8-9-18-16/h6-10H,11H2,1-5H3
InChIKeyAJTHVNJGHYQXTN-UHFFFAOYSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxyisoquinolin-1-yl)-N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 142430599
3-[(6-methoxyisoquinolin-1-yl)-methylamino]-2-methylpropanoic acid
CID 106536063
N-[[2-(hydroxymethyl)-4-(4-methoxy-3-methylphenyl)phenyl]methyl]-N-(6-methoxyisoquinolin-1-yl)-3,3-dimethylbutanamide
CID 135329423
4-[(6-methoxyisoquinolin-1-yl)-methylamino]butan-2-ol
CID 106541598
N-[6-[3-(dimethylamino)propoxy]isoquinolin-1-yl]-N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 146503802
N'-(6-methoxyisoquinolin-1-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106536904
2-(6-methoxyisoquinolin-1-yl)propan-2-ol
CID 116995429
N-(2-bromo-3-methoxypropyl)-6-methoxy-N-methylisoquinolin-1-amine
CID 106542944
N-isoquinolin-1-yl-4-(4-methoxyphenyl)sulfinyl-N-methylbutanamide
CID 66679385
3-(6-methoxyisoquinolin-1-yl)-2-methylpropanoic acid
CID 116995409
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]-3,3-dimethyl-N-[6-(2-methylsulfonylethoxy)isoquinolin-1-yl]butanamide
CID 135329455
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide (CID 142430525) is N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide is COc1ccc2c(N(C)C(=O)CC(C)(C)C)nccc2c1.
What is the InChIKey of N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide?
The InChIKey is AJTHVNJGHYQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)11-15(20)19(4)16-14-7-6-13(21-5)10-12(14)8-9-18-16/h6-10H,11H2,1-5H3.
What are the key properties of N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide?
N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyisoquinolin-1-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 142430525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).