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

C23H40N2O — CID 154964542

IUPAC(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=O)NCCNC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H40N2O/c1-16(2)7-6-8-17(3)13-22(26)24-9-10-25-23-19(5)14-20-11-18(4)12-21(23)15-20/h7,13,18-21,23,25H,6,8-12,14-15H2,1-5H3,(H,24,26)/b17-13+
InChIKeyNKBZASDCGZCFMW-GHRIWEEISA-N
MW360.59 g/mol
LogP4.85
Rot. Bonds8

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

(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide (PubChem CID 154964542) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
PubChem CID154964542
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=O)NCCNC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H40N2O/c1-16(2)7-6-8-17(3)13-22(26)24-9-10-25-23-19(5)14-20-11-18(4)12-21(23)15-20/h7,13,18-21,23,25H,6,8-12,14-15H2,1-5H3,(H,24,26)/b17-13+
InChIKeyNKBZASDCGZCFMW-GHRIWEEISA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide (CID 154964542) is (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide is CC(C)=CCC/C(C)=C/C(=O)NCCNC1C(C)CC2CC(C)CC1C2.
What is the InChIKey of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
The InChIKey is NKBZASDCGZCFMW-GHRIWEEISA-N. The full InChI is InChI=1S/C23H40N2O/c1-16(2)7-6-8-17(3)13-22(26)24-9-10-25-23-19(5)14-20-11-18(4)12-21(23)15-20/h7,13,18-21,23,25H,6,8-12,14-15H2,1-5H3,(H,24,26)/b17-13+.
What are the key properties of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide 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 (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 154964542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).