1-(1-adamantyl)-2-(1-adamantylamino)ethanone

C22H33NO — CID 3292373

IUPAC1-(1-adamantyl)-2-(1-adamantylamino)ethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NO/c24-20(21-7-14-1-15(8-21)3-16(2-14)9-21)13-23-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19,23H,1-13H2
InChIKeyKICCQEZFZQTPTF-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.33
Rot. Bonds4

About 1-(1-adamantyl)-2-(1-adamantylamino)ethanone

1-(1-adamantyl)-2-(1-adamantylamino)ethanone (PubChem CID 3292373) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(1-adamantylamino)ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(1-adamantylamino)ethanone
PubChem CID3292373
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name1-(1-adamantyl)-2-(1-adamantylamino)ethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NO/c24-20(21-7-14-1-15(8-21)3-16(2-14)9-21)13-23-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19,23H,1-13H2
InChIKeyKICCQEZFZQTPTF-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-adamantyl)-2-(2-methoxyethylamino)ethanone;hydrochloride
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1-(1-adamantyl)-2-bromoethanone;ethane
CID 91508009
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CID 79168192
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
2-(1-adamantylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101287
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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(1-adamantylamino)ethanone?
The IUPAC name of 1-(1-adamantyl)-2-(1-adamantylamino)ethanone (CID 3292373) is 1-(1-adamantyl)-2-(1-adamantylamino)ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-(1-adamantylamino)ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-(1-adamantylamino)ethanone is O=C(CNC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(1-adamantylamino)ethanone?
The InChIKey is KICCQEZFZQTPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c24-20(21-7-14-1-15(8-21)3-16(2-14)9-21)13-23-22-10-17-4-18(11-22)6-19(5-17)12-22/h14-19,23H,1-13H2.
What are the key properties of 1-(1-adamantyl)-2-(1-adamantylamino)ethanone?
1-(1-adamantyl)-2-(1-adamantylamino)ethanone has a molecular weight of 327.51 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(1-adamantylamino)ethanone is sourced from PubChem (CID 3292373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).