(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide

C22H35NO — CID 102358163

IUPAC(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
SMILESCC(C)=CCC/C(C)=C/CCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO/c1-15(2)6-4-7-16(3)8-5-9-21(24)23-22-19-11-17-10-18(13-19)14-20(22)12-17/h6,8,17-20,22H,4-5,7,9-14H2,1-3H3,(H,23,24)/b16-8+
InChIKeySBPNOHQPHBFHMD-LZYBPNLTSA-N
MW329.53 g/mol
LogP5.40
Rot. Bonds7

About (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide

(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide (PubChem CID 102358163) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide.

Molecular Properties

Compound Name(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
PubChem CID102358163
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
SMILESCC(C)=CCC/C(C)=C/CCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35NO/c1-15(2)6-4-7-16(3)8-5-9-21(24)23-22-19-11-17-10-18(13-19)14-20(22)12-17/h6,8,17-20,22H,4-5,7,9-14H2,1-3H3,(H,23,24)/b16-8+
InChIKeySBPNOHQPHBFHMD-LZYBPNLTSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.40
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

N-(2-adamantyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]acetamide
CID 90676160
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
2-N-(2-adamantyl)-5,9-dimethyldeca-4,8-diene-1,2-diamine
CID 175165055
(4E,8E,12E)-1-(1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 71735596
N-(2-adamantyl)-4-hydroxypentanamide
CID 79200321
N-(2-adamantyl)-3-methylsulfonylpropanamide
CID 78864384
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
N-(2-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60853991
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
N-(2-adamantyl)-2-methoxyacetamide
CID 24659070

Frequently Asked Questions

What is the IUPAC name of (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide?
The IUPAC name of (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide (CID 102358163) is (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide.
What is the SMILES notation for (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide?
The canonical SMILES for (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide is CC(C)=CCC/C(C)=C/CCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide?
The InChIKey is SBPNOHQPHBFHMD-LZYBPNLTSA-N. The full InChI is InChI=1S/C22H35NO/c1-15(2)6-4-7-16(3)8-5-9-21(24)23-22-19-11-17-10-18(13-19)14-20(22)12-17/h6,8,17-20,22H,4-5,7,9-14H2,1-3H3,(H,23,24)/b16-8+.
What are the key properties of (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide?
(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide has a molecular weight of 329.53 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide is sourced from PubChem (CID 102358163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).