2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide

C18H20N2O2 — CID 153284714

IUPAC2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
SMILESNC(=O)c1ccccc1C[C@H](O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C18H20N2O2/c19-18(22)15-8-4-3-6-13(15)10-17(21)16-9-12-5-1-2-7-14(12)11-20-16/h1-8,16-17,20-21H,9-11H2,(H2,19,22)/t16-,17+/m1/s1
InChIKeyAGXOETUXMOJLNY-SJORKVTESA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds4

About 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide

2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide (PubChem CID 153284714) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
PubChem CID153284714
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
SMILESNC(=O)c1ccccc1C[C@H](O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C18H20N2O2/c19-18(22)15-8-4-3-6-13(15)10-17(21)16-9-12-5-1-2-7-14(12)11-20-16/h1-8,16-17,20-21H,9-11H2,(H2,19,22)/t16-,17+/m1/s1
InChIKeyAGXOETUXMOJLNY-SJORKVTESA-N
XLogP1.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide with MolForge

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Related Compounds

2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
CID 69189154
2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide
CID 162073018
2-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridine-3-carboxamide;dihydrochloride
CID 118917549
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
3-[(2R)-2-hydroxy-2-[(3S)-7-(1,3-oxazol-5-ylmethoxy)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-4-carboxamide
CID 167362613
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(trifluoromethoxy)benzamide
CID 118929837
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate
CID 7146206
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
(1R)-2-[2-(ethylamino)ethyl-methylamino]-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanol
CID 166927191

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide?
The IUPAC name of 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide (CID 153284714) is 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide?
The canonical SMILES for 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide is NC(=O)c1ccccc1C[C@H](O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide?
The InChIKey is AGXOETUXMOJLNY-SJORKVTESA-N. The full InChI is InChI=1S/C18H20N2O2/c19-18(22)15-8-4-3-6-13(15)10-17(21)16-9-12-5-1-2-7-14(12)11-20-16/h1-8,16-17,20-21H,9-11H2,(H2,19,22)/t16-,17+/m1/s1.
What are the key properties of 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide?
2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide is sourced from PubChem (CID 153284714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).