2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide

C24H37NO — CID 5116643

IUPAC2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
SMILESCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)
InChIKeyMARKNSVDHIUVIE-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.31
Rot. Bonds4

About 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide

2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide (PubChem CID 5116643) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
PubChem CID5116643
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide
SMILESCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26)
InChIKeyMARKNSVDHIUVIE-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.31
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-[1-(1-adamantyl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide (CID 5116643) is 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide is CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
The InChIKey is MARKNSVDHIUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-15(24-11-19-5-20(12-24)7-21(6-19)13-24)25-22(26)14-23-8-16-2-17(9-23)4-18(3-16)10-23/h15-21H,2-14H2,1H3,(H,25,26).
What are the key properties of 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide?
2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide has a molecular weight of 355.57 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 5116643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).