2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide

C23H28N2O2 — CID 26687467

IUPAC2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N2O2/c1-15(26)25-7-6-19-4-2-3-5-20(19)21(25)11-22(27)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,16-18,21H,8-14H2,1H3,(H,24,27)/t16?,17?,18?,21-,23?/m1/s1
InChIKeyCKQGYWSDZNNTLG-WWFGTJDESA-N
MW364.49 g/mol
LogP4.04
Rot. Bonds3

About 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide (PubChem CID 26687467) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
PubChem CID26687467
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N2O2/c1-15(26)25-7-6-19-4-2-3-5-20(19)21(25)11-22(27)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,16-18,21H,8-14H2,1H3,(H,24,27)/t16?,17?,18?,21-,23?/m1/s1
InChIKeyCKQGYWSDZNNTLG-WWFGTJDESA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 94393859
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 78819865
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
CID 45352268
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317292
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119234430
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370303
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide?
The IUPAC name of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide (CID 26687467) is 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide is CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide?
The InChIKey is CKQGYWSDZNNTLG-WWFGTJDESA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(26)25-7-6-19-4-2-3-5-20(19)21(25)11-22(27)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,16-18,21H,8-14H2,1H3,(H,24,27)/t16?,17?,18?,21-,23?/m1/s1.
What are the key properties of 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide?
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide is sourced from PubChem (CID 26687467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).