2-(1-adamantyl)-N-quinolin-5-ylacetamide

C21H24N2O — CID 2963764

IUPAC2-(1-adamantyl)-N-quinolin-5-ylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12
InChIInChI=1S/C21H24N2O/c24-20(23-19-5-1-4-18-17(19)3-2-6-22-18)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,14-16H,7-13H2,(H,23,24)
InChIKeyDKOFLWJJZBRSBW-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.78
Rot. Bonds3

About 2-(1-adamantyl)-N-quinolin-5-ylacetamide

2-(1-adamantyl)-N-quinolin-5-ylacetamide (PubChem CID 2963764) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-quinolin-5-ylacetamide
PubChem CID2963764
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-(1-adamantyl)-N-quinolin-5-ylacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12
InChIInChI=1S/C21H24N2O/c24-20(23-19-5-1-4-18-17(19)3-2-6-22-18)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,14-16H,7-13H2,(H,23,24)
InChIKeyDKOFLWJJZBRSBW-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(1-adamantyl)-N-quinolin-5-ylacetamide (CID 2963764) is 2-(1-adamantyl)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-quinolin-5-ylacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12.
What is the InChIKey of 2-(1-adamantyl)-N-quinolin-5-ylacetamide?
The InChIKey is DKOFLWJJZBRSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-20(23-19-5-1-4-18-17(19)3-2-6-22-18)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,14-16H,7-13H2,(H,23,24).
What are the key properties of 2-(1-adamantyl)-N-quinolin-5-ylacetamide?
2-(1-adamantyl)-N-quinolin-5-ylacetamide has a molecular weight of 320.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 2963764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).