N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide

C23H40N2O — CID 166814817

IUPACN-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
SMILESCC(C)=CCC/C(C)=C/CNCC(=O)NC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H40N2O/c1-16(2)7-6-8-17(3)9-10-24-15-22(26)25-23-19(5)13-20-11-18(4)12-21(23)14-20/h7,9,18-21,23-24H,6,8,10-15H2,1-5H3,(H,25,26)/b17-9+
InChIKeyXVJQVQXNZMBULK-RQZCQDPDSA-N
MW360.59 g/mol
LogP4.85
Rot. Bonds8

About N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide

N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide (PubChem CID 166814817) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
PubChem CID166814817
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC NameN-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
SMILESCC(C)=CCC/C(C)=C/CNCC(=O)NC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H40N2O/c1-16(2)7-6-8-17(3)9-10-24-15-22(26)25-23-19(5)13-20-11-18(4)12-21(23)14-20/h7,9,18-21,23-24H,6,8,10-15H2,1-5H3,(H,25,26)/b17-9+
InChIKeyXVJQVQXNZMBULK-RQZCQDPDSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.85
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'}

Analyze N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-adamantyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
CID 117951520
2-(2-adamantylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 164672395
2-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-bicyclo[3.3.1]nonanyl)-2-oxoacetamide;methane
CID 87153924
3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide
CID 122499351
N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide
CID 123169676
(2E)-N-[2-(2-adamantylamino)ethyl]-3,7-dimethylocta-2,6-dienamide
CID 142783622
2-[(2-Ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene
CID 143180872
N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[(3,6-dimethylcyclohepta-1,3,6-trien-1-yl)sulfanylamino]-2-methylpropanamide
CID 144523208
N-(2-adamantyl)-2-(3,7-dimethylocta-2,6-dienylamino)acetamide;hydrochloride
CID 153626210
(2E)-N-[2-(2-adamantylamino)ethyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 154964506
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(3-methyl-2-bicyclo[3.3.1]nonanyl)ethane-1,2-diamine
CID 154964537
(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 154964542

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
The IUPAC name of N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide (CID 166814817) is N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide.
What is the SMILES notation for N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
The canonical SMILES for N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide is CC(C)=CCC/C(C)=C/CNCC(=O)NC1C(C)CC2CC(C)CC1C2.
What is the InChIKey of N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
The InChIKey is XVJQVQXNZMBULK-RQZCQDPDSA-N. The full InChI is InChI=1S/C23H40N2O/c1-16(2)7-6-8-17(3)9-10-24-15-22(26)25-23-19(5)13-20-11-18(4)12-21(23)14-20/h7,9,18-21,23-24H,6,8,10-15H2,1-5H3,(H,25,26)/b17-9+.
What are the key properties of N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide?
N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide has a molecular weight of 360.59 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide is sourced from PubChem (CID 166814817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).