N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide

C13H18N2O — CID 115104952

IUPACN-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
SMILESCNC(=O)CCc1cccc2c1CNCC2
InChIInChI=1S/C13H18N2O/c1-14-13(16)6-5-10-3-2-4-11-7-8-15-9-12(10)11/h2-4,15H,5-9H2,1H3,(H,14,16)
InChIKeyXQDVXPKCRBFYLA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.01
Rot. Bonds3

About N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide

N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide (PubChem CID 115104952) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
PubChem CID115104952
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
SMILESCNC(=O)CCc1cccc2c1CNCC2
InChIInChI=1S/C13H18N2O/c1-14-13(16)6-5-10-3-2-4-11-7-8-15-9-12(10)11/h2-4,15H,5-9H2,1H3,(H,14,16)
InChIKeyXQDVXPKCRBFYLA-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104961
1-(4-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propan-1-one
CID 115104959
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-6-yl)propanoic acid
CID 105474158
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
2-(cyclohexen-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 114490988
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-one
CID 115105051
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
The IUPAC name of N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide (CID 115104952) is N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide.
What is the SMILES notation for N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
The canonical SMILES for N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide is CNC(=O)CCc1cccc2c1CNCC2.
What is the InChIKey of N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
The InChIKey is XQDVXPKCRBFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-13(16)6-5-10-3-2-4-11-7-8-15-9-12(10)11/h2-4,15H,5-9H2,1H3,(H,14,16).
What are the key properties of N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide is sourced from PubChem (CID 115104952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).