N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C17H25ClN2O2 — CID 119343158

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCOC1CC(NC(=O)C2Cc3ccccc3CN2)C1(C)C.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-17(2)14(9-15(17)21-3)19-16(20)13-8-11-6-4-5-7-12(11)10-18-13;/h4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);1H
InChIKeyOYNIVJTYJXXVMM-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.05
Rot. Bonds3

About N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119343158) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119343158
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCOC1CC(NC(=O)C2Cc3ccccc3CN2)C1(C)C.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-17(2)14(9-15(17)21-3)19-16(20)13-8-11-6-4-5-7-12(11)10-18-13;/h4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);1H
InChIKeyOYNIVJTYJXXVMM-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3S)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104940484
N-(2-propylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119342973
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994114
N-(2-phenylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119281644
methyl 2-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 61178603
N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64907413
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119343158) is N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is COC1CC(NC(=O)C2Cc3ccccc3CN2)C1(C)C.Cl.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is OYNIVJTYJXXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-17(2)14(9-15(17)21-3)19-16(20)13-8-11-6-4-5-7-12(11)10-18-13;/h4-7,13-15,18H,8-10H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).