2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

C21H26N2O — CID 171702269

IUPAC2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCc3ccccc3C2C)c(C)c1
InChIInChI=1S/C21H26N2O/c1-14-11-15(2)21(16(3)12-14)22-20(24)13-23-10-9-18-7-5-6-8-19(18)17(23)4/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,22,24)
InChIKeyBZUAJBGPOUPHOP-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.17
Rot. Bonds3

About 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 171702269) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID171702269
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCc3ccccc3C2C)c(C)c1
InChIInChI=1S/C21H26N2O/c1-14-11-15(2)21(16(3)12-14)22-20(24)13-23-10-9-18-7-5-6-8-19(18)17(23)4/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,22,24)
InChIKeyBZUAJBGPOUPHOP-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171691578
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171702388
N-(2,4-dimethylphenyl)-2-[(1S)-1-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 95054684
methyl (3R)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758692
N-(2,4-dimethylphenyl)-2-[(1S)-1-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 92901241
N-(3,5-dimethylphenyl)-2-[(1S)-1-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 92901245
N-(3,5-dimethylphenyl)-2-[(1R)-1-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 92901244
1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
CID 20608520
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2148294
2-hexanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 68711501
N-(2,4-dimethylphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999878

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 171702269) is 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCc3ccccc3C2C)c(C)c1.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BZUAJBGPOUPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14-11-15(2)21(16(3)12-14)22-20(24)13-23-10-9-18-7-5-6-8-19(18)17(23)4/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,22,24).
What are the key properties of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 171702269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).