2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide

C21H24N2O4 — CID 162073018

IUPAC2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)CC[C@@H](O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C21H24N2O4/c22-21(26)13-27-20-8-4-3-7-16(20)18(24)9-10-19(25)17-11-14-5-1-2-6-15(14)12-23-17/h1-8,17,19,23,25H,9-13H2,(H2,22,26)/t17-,19+/m0/s1
InChIKeyZBINURLREAIGQE-PKOBYXMFSA-N
MW368.43 g/mol
LogP1.59
Rot. Bonds8

About 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide

2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide (PubChem CID 162073018) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide
PubChem CID162073018
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)CC[C@@H](O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C21H24N2O4/c22-21(26)13-27-20-8-4-3-7-16(20)18(24)9-10-19(25)17-11-14-5-1-2-6-15(14)12-23-17/h1-8,17,19,23,25H,9-13H2,(H2,22,26)/t17-,19+/m0/s1
InChIKeyZBINURLREAIGQE-PKOBYXMFSA-N
XLogP1.59
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-hydroxy-1-[2-methoxy-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butan-1-one
CID 159421018
2-[(2S)-2-hydroxy-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]benzamide
CID 153284714
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(trifluoromethoxy)benzamide
CID 118929837
2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]benzamide
CID 69189154
2-(2-amino-2-oxoethoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 136518616
(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103955970
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 118929847
N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 578415
2-(2-hydroxyphenoxy)acetamide
CID 786426
2-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(oxan-4-ylmethylamino)pyridine-3-carboxamide;dihydrochloride
CID 118917549

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide (CID 162073018) is 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide is NC(=O)COc1ccccc1C(=O)CC[C@@H](O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide?
The InChIKey is ZBINURLREAIGQE-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H24N2O4/c22-21(26)13-27-20-8-4-3-7-16(20)18(24)9-10-19(25)17-11-14-5-1-2-6-15(14)12-23-17/h1-8,17,19,23,25H,9-13H2,(H2,22,26)/t17-,19+/m0/s1.
What are the key properties of 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide?
2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide has a molecular weight of 368.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4R)-4-hydroxy-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butanoyl]phenoxy]acetamide is sourced from PubChem (CID 162073018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).