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

C22H22N2O — CID 139894614

IUPACN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
SMILESCN1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1
InChIInChI=1S/C22H22N2O/c1-24-12-11-16-9-10-20(13-19(16)15-24)23-22(25)14-18-7-4-6-17-5-2-3-8-21(17)18/h2-10,13H,11-12,14-15H2,1H3,(H,23,25)
InChIKeyMWAZDKPVRZARCW-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.01
Rot. Bonds3

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

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide (PubChem CID 139894614) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
PubChem CID139894614
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
SMILESCN1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1
InChIInChI=1S/C22H22N2O/c1-24-12-11-16-9-10-20(13-19(16)15-24)23-22(25)14-18-7-4-6-17-5-2-3-8-21(17)18/h2-10,13H,11-12,14-15H2,1H3,(H,23,25)
InChIKeyMWAZDKPVRZARCW-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-naphthalen-1-ylacetamide
CID 16943149
2-(2-fluorophenyl)-N-(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 28811074
2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 139894610
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
1-(3-benzoylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 44533311
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 16942868
N-(9H-carbazol-3-yl)-2-naphthalen-1-ylacetamide
CID 43917240
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2,2,2-trifluoroacetyl)benzamide
CID 22597792
3-(2,2-dimethylpropanoyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;hydrochloride
CID 142644342
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea
CID 54334124

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide (CID 139894614) is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide is CN1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1.
What is the InChIKey of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is MWAZDKPVRZARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24-12-11-16-9-10-20(13-19(16)15-24)23-22(25)14-18-7-4-6-17-5-2-3-8-21(17)18/h2-10,13H,11-12,14-15H2,1H3,(H,23,25).
What are the key properties of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide?
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 139894614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).