3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride

C14H21ClN2O2 — CID 122447433

IUPAC3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride
SMILESCC(C)(O)CC(=O)Nc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(2,18)8-13(17)16-12-4-3-11-9-15-6-5-10(11)7-12;/h3-4,7,15,18H,5-6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyNMCYDDVILXLRGX-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.85
Rot. Bonds3

About 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride

3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride (PubChem CID 122447433) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride
PubChem CID122447433
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride
SMILESCC(C)(O)CC(=O)Nc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(2,18)8-13(17)16-12-4-3-11-9-15-6-5-10(11)7-12;/h3-4,7,15,18H,5-6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyNMCYDDVILXLRGX-UHFFFAOYSA-N
XLogP1.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trichloroethyl N-(1,2,3,4-tetrahydroisoquinolin-6-yl)carbamate;hydrochloride
CID 140772815
1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935877
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 66935505
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride
CID 119581065
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806990
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489043
1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935946
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66936252

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride?
The IUPAC name of 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride (CID 122447433) is 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride?
The canonical SMILES for 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride is CC(C)(O)CC(=O)Nc1ccc2c(c1)CCNC2.Cl.
What is the InChIKey of 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride?
The InChIKey is NMCYDDVILXLRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-14(2,18)8-13(17)16-12-4-3-11-9-15-6-5-10(11)7-12;/h3-4,7,15,18H,5-6,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride?
3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide;hydrochloride is sourced from PubChem (CID 122447433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).