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

C20H25ClN2O3 — CID 119287489

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)C2Cc3ccccc3CN2)cc1OC.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-13(14-8-9-18(24-2)19(11-14)25-3)22-20(23)17-10-15-6-4-5-7-16(15)12-21-17;/h4-9,11,13,17,21H,10,12H2,1-3H3,(H,22,23);1H
InChIKeyPWJPVJKSAOZUEZ-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.02
Rot. Bonds5

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119287489) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119287489
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)C2Cc3ccccc3CN2)cc1OC.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-13(14-8-9-18(24-2)19(11-14)25-3)22-20(23)17-10-15-6-4-5-7-16(15)12-21-17;/h4-9,11,13,17,21H,10,12H2,1-3H3,(H,22,23);1H
InChIKeyPWJPVJKSAOZUEZ-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994114
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
(3R)-N-[(2S,3S)-3-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124894639
(3S)-N-[(2S,3R)-3-methyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7096438
(3S)-N-[(2R,3S)-3-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40956690
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
N-(3-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61464120
(3S)-N-[(2S,3S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40742954
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119287489) is N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is COc1ccc(C(C)NC(=O)C2Cc3ccccc3CN2)cc1OC.Cl.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is PWJPVJKSAOZUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-13(14-8-9-18(24-2)19(11-14)25-3)22-20(23)17-10-15-6-4-5-7-16(15)12-21-17;/h4-9,11,13,17,21H,10,12H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119287489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).