N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C13H18N2O2 — CID 110489140

IUPACN-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCN(CCO)C(=O)c1cccc2c1CNCC2
InChIInChI=1S/C13H18N2O2/c1-15(7-8-16)13(17)11-4-2-3-10-5-6-14-9-12(10)11/h2-4,14,16H,5-9H2,1H3
InChIKeyMPQRFFDMYWNCSJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.40
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 110489140) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID110489140
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCN(CCO)C(=O)c1cccc2c1CNCC2
InChIInChI=1S/C13H18N2O2/c1-15(7-8-16)13(17)11-4-2-3-10-5-6-14-9-12(10)11/h2-4,14,16H,5-9H2,1H3
InChIKeyMPQRFFDMYWNCSJ-UHFFFAOYSA-N
XLogP0.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetic acid
CID 110489133
methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate
CID 110489154
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850061
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 113433226
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 110489140) is N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is CN(CCO)C(=O)c1cccc2c1CNCC2.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is MPQRFFDMYWNCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(7-8-16)13(17)11-4-2-3-10-5-6-14-9-12(10)11/h2-4,14,16H,5-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 110489140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).