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

C12H16N2O — CID 110457312

IUPAC2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCC1CN(CC(N)=O)Cc2ccccc21
InChIInChI=1S/C12H16N2O/c1-9-6-14(8-12(13)15)7-10-4-2-3-5-11(9)10/h2-5,9H,6-8H2,1H3,(H2,13,15)
InChIKeyMLFBHFVDIQHJML-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.09
Rot. Bonds2

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

2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 110457312) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID110457312
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCC1CN(CC(N)=O)Cc2ccccc21
InChIInChI=1S/C12H16N2O/c1-9-6-14(8-12(13)15)7-10-4-2-3-5-11(9)10/h2-5,9H,6-8H2,1H3,(H2,13,15)
InChIKeyMLFBHFVDIQHJML-UHFFFAOYSA-N
XLogP1.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
CID 52862501
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110750023
4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457310
2-(3-amino-2-methyl-3-oxopropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260571
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
2-(4-methoxyphenyl)-1-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110750590
1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 167920926
2-(2-bromoprop-2-enyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65261095
2-[4-[(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetic acid
CID 167771347
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 95584813

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 110457312) is 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is CC1CN(CC(N)=O)Cc2ccccc21.
What is the InChIKey of 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is MLFBHFVDIQHJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-6-14(8-12(13)15)7-10-4-2-3-5-11(9)10/h2-5,9H,6-8H2,1H3,(H2,13,15).
What are the key properties of 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 110457312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).