N-(2-adamantyl)-3,7-dimethyloct-6-enamide

C20H33NO — CID 162652162

IUPACN-(2-adamantyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H33NO/c1-13(2)5-4-6-14(3)7-19(22)21-20-17-9-15-8-16(11-17)12-18(20)10-15/h5,14-18,20H,4,6-12H2,1-3H3,(H,21,22)
InChIKeyPXXJFRHWMXLMQD-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.70
Rot. Bonds6

About N-(2-adamantyl)-3,7-dimethyloct-6-enamide

N-(2-adamantyl)-3,7-dimethyloct-6-enamide (PubChem CID 162652162) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(2-adamantyl)-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3,7-dimethyloct-6-enamide
PubChem CID162652162
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(2-adamantyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H33NO/c1-13(2)5-4-6-14(3)7-19(22)21-20-17-9-15-8-16(11-17)12-18(20)10-15/h5,14-18,20H,4,6-12H2,1-3H3,(H,21,22)
InChIKeyPXXJFRHWMXLMQD-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
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)-3,7-dimethyloct-6-enamide?
The IUPAC name of N-(2-adamantyl)-3,7-dimethyloct-6-enamide (CID 162652162) is N-(2-adamantyl)-3,7-dimethyloct-6-enamide.
What is the SMILES notation for N-(2-adamantyl)-3,7-dimethyloct-6-enamide?
The canonical SMILES for N-(2-adamantyl)-3,7-dimethyloct-6-enamide is CC(C)=CCCC(C)CC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3,7-dimethyloct-6-enamide?
The InChIKey is PXXJFRHWMXLMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-13(2)5-4-6-14(3)7-19(22)21-20-17-9-15-8-16(11-17)12-18(20)10-15/h5,14-18,20H,4,6-12H2,1-3H3,(H,21,22).
What are the key properties of N-(2-adamantyl)-3,7-dimethyloct-6-enamide?
N-(2-adamantyl)-3,7-dimethyloct-6-enamide has a molecular weight of 303.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3,7-dimethyloct-6-enamide is sourced from PubChem (CID 162652162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).