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

C22H36N2O — CID 123169676

IUPACN-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide
SMILESCC(C)=CCCC(C)=CCNCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H36N2O/c1-15(2)5-4-6-16(3)7-8-23-14-21(25)24-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22-23H,4,6,8-14H2,1-3H3,(H,24,25)
InChIKeyBZRYIQVLPMZTSX-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.21
Rot. Bonds8

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

N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide (PubChem CID 123169676) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide
PubChem CID123169676
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC NameN-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide
SMILESCC(C)=CCCC(C)=CCNCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H36N2O/c1-15(2)5-4-6-16(3)7-8-23-14-21(25)24-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22-23H,4,6,8-14H2,1-3H3,(H,24,25)
InChIKeyBZRYIQVLPMZTSX-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide (CID 123169676) is N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide is CC(C)=CCCC(C)=CCNCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide?
The InChIKey is BZRYIQVLPMZTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c1-15(2)5-4-6-16(3)7-8-23-14-21(25)24-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22-23H,4,6,8-14H2,1-3H3,(H,24,25).
What are the key properties of N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide?
N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide has a molecular weight of 344.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide is sourced from PubChem (CID 123169676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).