N-(1-adamantyl)-3,7-dimethyloct-6-enamide

C20H33NO — CID 162655498

IUPACN-(1-adamantyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H33NO/c1-14(2)5-4-6-15(3)7-19(22)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h5,15-18H,4,6-13H2,1-3H3,(H,21,22)
InChIKeyHAWBSJCFXYKPTQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.84
Rot. Bonds6

About N-(1-adamantyl)-3,7-dimethyloct-6-enamide

N-(1-adamantyl)-3,7-dimethyloct-6-enamide (PubChem CID 162655498) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(1-adamantyl)-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3,7-dimethyloct-6-enamide
PubChem CID162655498
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(1-adamantyl)-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H33NO/c1-14(2)5-4-6-15(3)7-19(22)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h5,15-18H,4,6-13H2,1-3H3,(H,21,22)
InChIKeyHAWBSJCFXYKPTQ-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-N-(1-adamantyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
CID 162674173
N-[(3S)-3,7-dimethyloct-6-enyl]adamantane-1-carboxamide
CID 162652941
N-[(2E)-3,7-dimethylocta-2,6-dienyl]adamantane-1-carboxamide
CID 162653724
Icosa-5,8,11,14-tetraenoic acid adamantan-1-ylamide
CID 44589228
N-(2-adamantyl)-3,7-dimethyloct-6-enamide
CID 162652162
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]adamantane-1-carboxamide
CID 162656359
N-(adamantan-1-yl)-2,2-difluoro-5-methyl-4-methylenehexanamide
CID 168720292
(1S,5R)-N-(1-adamantyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
CID 172439083
1-(1-Acetylamino-2-adamantyl)-3-methyl-2-buten-1-one
CID 12101445
(5z,9z)-N-(3,5-dimethyladamantan-1-yl)eicosa-5,9dienamide
CID 176507450
N-(1-adamantyl)cyclohex-3-ene-1-carboxamide
CID 17534531
N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42892966

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3,7-dimethyloct-6-enamide?
The IUPAC name of N-(1-adamantyl)-3,7-dimethyloct-6-enamide (CID 162655498) is N-(1-adamantyl)-3,7-dimethyloct-6-enamide.
What is the SMILES notation for N-(1-adamantyl)-3,7-dimethyloct-6-enamide?
The canonical SMILES for N-(1-adamantyl)-3,7-dimethyloct-6-enamide is CC(C)=CCCC(C)CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3,7-dimethyloct-6-enamide?
The InChIKey is HAWBSJCFXYKPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-14(2)5-4-6-15(3)7-19(22)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h5,15-18H,4,6-13H2,1-3H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-3,7-dimethyloct-6-enamide?
N-(1-adamantyl)-3,7-dimethyloct-6-enamide has a molecular weight of 303.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3,7-dimethyloct-6-enamide is sourced from PubChem (CID 162655498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).