N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

C12H16N2O — CID 66875746

IUPACN-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCNC2C
InChIInChI=1S/C12H16N2O/c1-8-10-4-3-5-12(14-9(2)15)11(10)6-7-13-8/h3-5,8,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyVIQMLQLODCAIHV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.85
Rot. Bonds1

About N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide

N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (PubChem CID 66875746) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
PubChem CID66875746
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCNC2C
InChIInChI=1S/C12H16N2O/c1-8-10-4-3-5-12(14-9(2)15)11(10)6-7-13-8/h3-5,8,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyVIQMLQLODCAIHV-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Prilocaine
CID 4906
Azetukalner
CID 24743936
Acetamide, N-1-naphthalenyl-
CID 68461
3',4'-Dimethylacetanilide
CID 75144
2',3'-Acetoxylidide
CID 8656
1-(2,3-Xylyl)piperazine
CID 70541
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 299693
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The IUPAC name of N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide (CID 66875746) is N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide.
What is the SMILES notation for N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The canonical SMILES for N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is CC(=O)Nc1cccc2c1CCNC2C.
What is the InChIKey of N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
The InChIKey is VIQMLQLODCAIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-10-4-3-5-12(14-9(2)15)11(10)6-7-13-8/h3-5,8,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide?
N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide is sourced from PubChem (CID 66875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).