N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C20H25ClN2O3 — CID 119271069

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCN(C)C(=O)C2Cc3ccccc3CN2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-22(11-12-25-18-9-7-17(24-2)8-10-18)20(23)19-13-15-5-3-4-6-16(15)14-21-19;/h3-10,19,21H,11-14H2,1-2H3;1H
InChIKeyONEXCLYPZGIXGZ-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119271069) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119271069
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCN(C)C(=O)C2Cc3ccccc3CN2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-22(11-12-25-18-9-7-17(24-2)8-10-18)20(23)19-13-15-5-3-4-6-16(15)14-21-19;/h3-10,19,21H,11-14H2,1-2H3;1H
InChIKeyONEXCLYPZGIXGZ-UHFFFAOYSA-N
XLogP2.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43020017
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119841209
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119841210
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896871
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896253
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(3R)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64517291

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119271069) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is COc1ccc(OCCN(C)C(=O)C2Cc3ccccc3CN2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is ONEXCLYPZGIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-22(11-12-25-18-9-7-17(24-2)8-10-18)20(23)19-13-15-5-3-4-6-16(15)14-21-19;/h3-10,19,21H,11-14H2,1-2H3;1H.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119271069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).