(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C19H22N2O2 — CID 125150413

IUPAC(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1ccccc1[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C19H22N2O2/c1-13-6-2-5-9-16(13)18(22)12-21-19(23)17-10-14-7-3-4-8-15(14)11-20-17/h2-9,17-18,20,22H,10-12H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyDGEQJKRUFYXCEF-MSOLQXFVSA-N
MW310.40 g/mol
LogP1.86
Rot. Bonds4

About (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 125150413) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID125150413
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1ccccc1[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C19H22N2O2/c1-13-6-2-5-9-16(13)18(22)12-21-19(23)17-10-14-7-3-4-8-15(14)11-20-17/h2-9,17-18,20,22H,10-12H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyDGEQJKRUFYXCEF-MSOLQXFVSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124610090
(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124589604
(3R)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150718
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
(3R)-N-(2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113466541
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63297112
3-methyl-2-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]butanoic acid
CID 65224076
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
(3S)-N-(2,2-diethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896691

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 125150413) is (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is DGEQJKRUFYXCEF-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-6-2-5-9-16(13)18(22)12-21-19(23)17-10-14-7-3-4-8-15(14)11-20-17/h2-9,17-18,20,22H,10-12H2,1H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 125150413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).