N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide

C20H24N2O2 — CID 111464478

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
SMILESCC(CNC(=O)C(O)c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O2/c1-15(22-12-11-16-7-5-6-10-18(16)14-22)13-21-20(24)19(23)17-8-3-2-4-9-17/h2-10,15,19,23H,11-14H2,1H3,(H,21,24)
InChIKeyWMIXUMWLLXRNJZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111464478) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
PubChem CID111464478
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
SMILESCC(CNC(=O)C(O)c1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C20H24N2O2/c1-15(22-12-11-16-7-5-6-10-18(16)14-22)13-21-20(24)19(23)17-8-3-2-4-9-17/h2-10,15,19,23H,11-14H2,1H3,(H,21,24)
InChIKeyWMIXUMWLLXRNJZ-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111536531
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
(2S)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021218
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 51727801
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438280
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
CID 120799294
3-(2-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]propanamide
CID 60506646
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
N-[3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 96508429

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide (CID 111464478) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide is CC(CNC(=O)C(O)c1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is WMIXUMWLLXRNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(22-12-11-16-7-5-6-10-18(16)14-22)13-21-20(24)19(23)17-8-3-2-4-9-17/h2-10,15,19,23H,11-14H2,1H3,(H,21,24).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 324.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111464478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).