N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C25H28N2O2 — CID 42883537

IUPACN-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)c2cccc3cccc1c23)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H28N2O2/c1-15(25-11-16-8-17(12-25)10-18(9-16)13-25)26-22(28)14-27-21-7-3-5-19-4-2-6-20(23(19)21)24(27)29/h2-7,15-18H,8-14H2,1H3,(H,26,28)
InChIKeyHLJYOBVBFNEWPL-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 42883537) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID42883537
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)c2cccc3cccc1c23)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H28N2O2/c1-15(25-11-16-8-17(12-25)10-18(9-16)13-25)26-22(28)14-27-21-7-3-5-19-4-2-6-20(23(19)21)24(27)29/h2-7,15-18H,8-14H2,1H3,(H,26,28)
InChIKeyHLJYOBVBFNEWPL-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4810854
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2947102
N-[(1S)-1-(1-adamantyl)ethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354426
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367049
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242129
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 7894076

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 42883537) is N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is CC(NC(=O)CN1C(=O)c2cccc3cccc1c23)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is HLJYOBVBFNEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-15(25-11-16-8-17(12-25)10-18(9-16)13-25)26-22(28)14-27-21-7-3-5-19-4-2-6-20(23(19)21)24(27)29/h2-7,15-18H,8-14H2,1H3,(H,26,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 42883537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).