N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide

C22H35NO — CID 77234131

IUPACN-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide
SMILESCC(=O)N(CC=C(C)CCC=C(C)C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO/c1-15(2)6-5-7-16(3)8-9-23(17(4)24)22-20-11-18-10-19(13-20)14-21(22)12-18/h6,8,18-22H,5,7,9-14H2,1-4H3
InChIKeyDJYLKOORUKYOGQ-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.35
Rot. Bonds6

About N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide

N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide (PubChem CID 77234131) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide
PubChem CID77234131
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC NameN-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide
SMILESCC(=O)N(CC=C(C)CCC=C(C)C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO/c1-15(2)6-5-7-16(3)8-9-23(17(4)24)22-20-11-18-10-19(13-20)14-21(22)12-18/h6,8,18-22H,5,7,9-14H2,1-4H3
InChIKeyDJYLKOORUKYOGQ-UHFFFAOYSA-N
XLogP5.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide?
The IUPAC name of N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide (CID 77234131) is N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide.
What is the SMILES notation for N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide?
The canonical SMILES for N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide is CC(=O)N(CC=C(C)CCC=C(C)C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide?
The InChIKey is DJYLKOORUKYOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-15(2)6-5-7-16(3)8-9-23(17(4)24)22-20-11-18-10-19(13-20)14-21(22)12-18/h6,8,18-22H,5,7,9-14H2,1-4H3.
What are the key properties of N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide?
N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide has a molecular weight of 329.53 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)acetamide is sourced from PubChem (CID 77234131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).