3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride

C17H25ClN2O2 — CID 119581050

IUPAC3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
SMILESCl.O=C(CCC1CCCCO1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C17H24N2O2.ClH/c20-17(7-6-16-3-1-2-10-21-16)19-15-5-4-13-8-9-18-12-14(13)11-15;/h4-5,11,16,18H,1-3,6-10,12H2,(H,19,20);1H
InChIKeySVLFNMLLUDBAHY-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.04
Rot. Bonds4

About 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride

3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride (PubChem CID 119581050) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
PubChem CID119581050
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
SMILESCl.O=C(CCC1CCCCO1)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C17H24N2O2.ClH/c20-17(7-6-16-3-1-2-10-21-16)19-15-5-4-13-8-9-18-12-14(13)11-15;/h4-5,11,16,18H,1-3,6-10,12H2,(H,19,20);1H
InChIKeySVLFNMLLUDBAHY-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120881399
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
CID 63953098
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride?
The IUPAC name of 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride (CID 119581050) is 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride is Cl.O=C(CCC1CCCCO1)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride?
The InChIKey is SVLFNMLLUDBAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c20-17(7-6-16-3-1-2-10-21-16)19-15-5-4-13-8-9-18-12-14(13)11-15;/h4-5,11,16,18H,1-3,6-10,12H2,(H,19,20);1H.
What are the key properties of 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride?
3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride is sourced from PubChem (CID 119581050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).