3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide

C21H36N2O2 — CID 54284487

IUPAC3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN1CCOCC1
InChIInChI=1S/C21H36N2O2/c1-18(2)7-5-8-19(3)9-6-10-20(4)17-21(24)22-11-12-23-13-15-25-16-14-23/h7,9,17H,5-6,8,10-16H2,1-4H3,(H,22,24)
InChIKeyRTDGLXVNEOUDER-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.85
Rot. Bonds10

About 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide

3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide (PubChem CID 54284487) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide.

Molecular Properties

Compound Name3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
PubChem CID54284487
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN1CCOCC1
InChIInChI=1S/C21H36N2O2/c1-18(2)7-5-8-19(3)9-6-10-20(4)17-21(24)22-11-12-23-13-15-25-16-14-23/h7,9,17H,5-6,8,10-16H2,1-4H3,(H,22,24)
InChIKeyRTDGLXVNEOUDER-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
The IUPAC name of 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide (CID 54284487) is 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide.
What is the SMILES notation for 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
The canonical SMILES for 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide is CC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN1CCOCC1.
What is the InChIKey of 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
The InChIKey is RTDGLXVNEOUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-18(2)7-5-8-19(3)9-6-10-20(4)17-21(24)22-11-12-23-13-15-25-16-14-23/h7,9,17H,5-6,8,10-16H2,1-4H3,(H,22,24).
What are the key properties of 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide has a molecular weight of 348.53 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide is sourced from PubChem (CID 54284487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).