2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C14H20N2O — CID 110456931

IUPAC2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCC(C)c1ccc2c(c1)CN(CC(N)=O)CC2
InChIInChI=1S/C14H20N2O/c1-10(2)12-4-3-11-5-6-16(9-14(15)17)8-13(11)7-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyFYHVIEGWQUGBHQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.65
Rot. Bonds3

About 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 110456931) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID110456931
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCC(C)c1ccc2c(c1)CN(CC(N)=O)CC2
InChIInChI=1S/C14H20N2O/c1-10(2)12-4-3-11-5-6-16(9-14(15)17)8-13(11)7-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyFYHVIEGWQUGBHQ-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82582032
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
7-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 171523202
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
2-ethyl-1,1-dimethyl-6-propan-2-yl-3,4-dihydroisoquinoline;2-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 155709756
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
2-phenyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 168898086
tert-butyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84569944
2-[4-[(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]acetamide
CID 75434892
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357

Frequently Asked Questions

What is the IUPAC name of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 110456931) is 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is CC(C)c1ccc2c(c1)CN(CC(N)=O)CC2.
What is the InChIKey of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is FYHVIEGWQUGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)12-4-3-11-5-6-16(9-14(15)17)8-13(11)7-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 110456931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).