N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide

C25H26N2O2 — CID 16943149

IUPACN-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide
SMILESCC(C)C(=O)N1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1
InChIInChI=1S/C25H26N2O2/c1-17(2)25(29)27-13-12-18-10-11-22(14-21(18)16-27)26-24(28)15-20-8-5-7-19-6-3-4-9-23(19)20/h3-11,14,17H,12-13,15-16H2,1-2H3,(H,26,28)
InChIKeyBKHZBZUGPGLCLG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide

N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide (PubChem CID 16943149) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide
PubChem CID16943149
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide
SMILESCC(C)C(=O)N1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1
InChIInChI=1S/C25H26N2O2/c1-17(2)25(29)27-13-12-18-10-11-22(14-21(18)16-27)26-24(28)15-20-8-5-7-19-6-3-4-9-23(19)20/h3-11,14,17H,12-13,15-16H2,1-2H3,(H,26,28)
InChIKeyBKHZBZUGPGLCLG-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
2-(2-chlorophenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943182
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 16942868
4-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943102
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide
CID 16943083
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943910
2-chloro-6-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943105
N-[4-[[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]phenyl]propanamide
CID 16943946
3,4-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943152
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide
CID 16943068
2-(2-fluorophenyl)-N-[2-[(3R)-pyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 97286208
2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 28811074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide (CID 16943149) is N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide is CC(C)C(=O)N1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1.
What is the InChIKey of N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is BKHZBZUGPGLCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(2)25(29)27-13-12-18-10-11-22(14-21(18)16-27)26-24(28)15-20-8-5-7-19-6-3-4-9-23(19)20/h3-11,14,17H,12-13,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide?
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 386.50 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 16943149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).