2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C16H23N3O2 — CID 61014916

IUPAC2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1cccc2c1CCN(CC(=O)NCC1CCCO1)C2
InChIInChI=1S/C16H23N3O2/c17-15-5-1-3-12-10-19(7-6-14(12)15)11-16(20)18-9-13-4-2-8-21-13/h1,3,5,13H,2,4,6-11,17H2,(H,18,20)
InChIKeyHLKCTXKMPPUQOP-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.92
Rot. Bonds4

About 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61014916) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61014916
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1cccc2c1CCN(CC(=O)NCC1CCCO1)C2
InChIInChI=1S/C16H23N3O2/c17-15-5-1-3-12-10-19(7-6-14(12)15)11-16(20)18-9-13-4-2-8-21-13/h1,3,5,13H,2,4,6-11,17H2,(H,18,20)
InChIKeyHLKCTXKMPPUQOP-UHFFFAOYSA-N
XLogP0.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylacetamide
CID 54949308
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 91829871
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 61485500
2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97147655
2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 82345461
2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 75431188
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78835198
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 61014916) is 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is Nc1cccc2c1CCN(CC(=O)NCC1CCCO1)C2.
What is the InChIKey of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HLKCTXKMPPUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15-5-1-3-12-10-19(7-6-14(12)15)11-16(20)18-9-13-4-2-8-21-13/h1,3,5,13H,2,4,6-11,17H2,(H,18,20).
What are the key properties of 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61014916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).