2-(1-adamantyl)-N-(2-adamantyl)acetamide

C22H33NO — CID 2960482

IUPAC2-(1-adamantyl)-N-(2-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H33NO/c24-20(12-22-9-15-2-16(10-22)4-17(3-15)11-22)23-21-18-5-13-1-14(7-18)8-19(21)6-13/h13-19,21H,1-12H2,(H,23,24)
InChIKeyPGLPCNUXNQWWCY-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.53
Rot. Bonds3

About 2-(1-adamantyl)-N-(2-adamantyl)acetamide

2-(1-adamantyl)-N-(2-adamantyl)acetamide (PubChem CID 2960482) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-adamantyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-adamantyl)acetamide
PubChem CID2960482
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name2-(1-adamantyl)-N-(2-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H33NO/c24-20(12-22-9-15-2-16(10-22)4-17(3-15)11-22)23-21-18-5-13-1-14(7-18)8-19(21)6-13/h13-19,21H,1-12H2,(H,23,24)
InChIKeyPGLPCNUXNQWWCY-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-adamantyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-adamantyl)acetamide (CID 2960482) is 2-(1-adamantyl)-N-(2-adamantyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-adamantyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-adamantyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(1-adamantyl)-N-(2-adamantyl)acetamide?
The InChIKey is PGLPCNUXNQWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c24-20(12-22-9-15-2-16(10-22)4-17(3-15)11-22)23-21-18-5-13-1-14(7-18)8-19(21)6-13/h13-19,21H,1-12H2,(H,23,24).
What are the key properties of 2-(1-adamantyl)-N-(2-adamantyl)acetamide?
2-(1-adamantyl)-N-(2-adamantyl)acetamide has a molecular weight of 327.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-adamantyl)acetamide is sourced from PubChem (CID 2960482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).