N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide

C22H35NO2 — CID 90676160

IUPACN-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide
SMILESCC(C)=CCC/C(C)=C/COCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO2/c1-15(2)5-4-6-16(3)7-8-25-14-21(24)23-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22H,4,6,8-14H2,1-3H3,(H,23,24)/b16-7+
InChIKeyPZDOPJQLGSJMDX-FRKPEAEDSA-N
MW345.53 g/mol
LogP4.64
Rot. Bonds8

About N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide

N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide (PubChem CID 90676160) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide
PubChem CID90676160
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide
SMILESCC(C)=CCC/C(C)=C/COCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO2/c1-15(2)5-4-6-16(3)7-8-25-14-21(24)23-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22H,4,6,8-14H2,1-3H3,(H,23,24)/b16-7+
InChIKeyPZDOPJQLGSJMDX-FRKPEAEDSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
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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Related Compounds

(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
CID 102358163
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetic acid
CID 12648855
N-(2-adamantyl)-2-methoxyacetamide
CID 24659070
magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
CID 158348116
N-(2-adamantyl)-3-oxobutanamide
CID 879553
2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine
CID 175165055
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
3,7,11-trimethyldodeca-2,6,10-trienyl N-(1-adamantyl)carbamate
CID 78164768
O-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl) N-(2-bicyclo[2.2.1]heptanyl)carbamothioate
CID 123851685
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
[(2Z)-3,7-dimethylocta-2,6-dienyl] cyclopropanecarboxylate
CID 137492081
(4E,8E,12E)-1-(1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 71735596

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide (CID 90676160) is N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide is CC(C)=CCC/C(C)=C/COCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide?
The InChIKey is PZDOPJQLGSJMDX-FRKPEAEDSA-N. The full InChI is InChI=1S/C22H35NO2/c1-15(2)5-4-6-16(3)7-8-25-14-21(24)23-22-19-10-17-9-18(12-19)13-20(22)11-17/h5,7,17-20,22H,4,6,8-14H2,1-3H3,(H,23,24)/b16-7+.
What are the key properties of N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide?
N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide has a molecular weight of 345.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide is sourced from PubChem (CID 90676160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).