N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide

C22H36N2O — CID 46203480

IUPACN-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
SMILESCC(C)=CCC/C(C)=C\CNCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H36N2O/c1-16(2)5-4-6-17(3)7-8-23-15-21(25)24-22-12-18-9-19(13-22)11-20(10-18)14-22/h5,7,18-20,23H,4,6,8-15H2,1-3H3,(H,24,25)/b17-7-
InChIKeyXTDHJJQYYZZQOO-IDUWFGFVSA-N
MW344.54 g/mol
LogP4.35
Rot. Bonds8

About N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide

N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide (PubChem CID 46203480) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
PubChem CID46203480
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC NameN-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
SMILESCC(C)=CCC/C(C)=C\CNCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H36N2O/c1-16(2)5-4-6-17(3)7-8-23-15-21(25)24-22-12-18-9-19(13-22)11-20(10-18)14-22/h5,7,18-20,23H,4,6,8-15H2,1-3H3,(H,24,25)/b17-7-
InChIKeyXTDHJJQYYZZQOO-IDUWFGFVSA-N
XLogP4.35
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 ≤ 54.35
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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Related Compounds

N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
CID 123302484
3,7,11-trimethyldodeca-2,6,10-trienyl N-(1-adamantyl)carbamate
CID 78164768
(4E,8E,12E)-1-(1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 71735596
(2E)-N-[3-(1-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 165083551
N-(1-adamantyl)hexanamide
CID 4687392
(2R)-2-(1-adamantylamino)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
CID 69435866
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
CID 102358163
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide (CID 46203480) is N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide is CC(C)=CCC/C(C)=C\CNCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
The InChIKey is XTDHJJQYYZZQOO-IDUWFGFVSA-N. The full InChI is InChI=1S/C22H36N2O/c1-16(2)5-4-6-17(3)7-8-23-15-21(25)24-22-12-18-9-19(13-22)11-20(10-18)14-22/h5,7,18-20,23H,4,6,8-15H2,1-3H3,(H,24,25)/b17-7-.
What are the key properties of N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide has a molecular weight of 344.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]acetamide is sourced from PubChem (CID 46203480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).