3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide

C21H36N2O2 — CID 70401956

IUPAC3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)NC(C)N1CCOCC1
InChIInChI=1S/C21H36N2O2/c1-17(2)8-6-9-18(3)10-7-11-19(4)16-21(24)22-20(5)23-12-14-25-15-13-23/h8,10,16,20H,6-7,9,11-15H2,1-5H3,(H,22,24)
InChIKeyMMFRGDZOOKYMOM-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.20
Rot. Bonds9

About 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide

3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide (PubChem CID 70401956) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide.

Molecular Properties

Compound Name3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
PubChem CID70401956
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)NC(C)N1CCOCC1
InChIInChI=1S/C21H36N2O2/c1-17(2)8-6-9-18(3)10-7-11-19(4)16-21(24)22-20(5)23-12-14-25-15-13-23/h8,10,16,20H,6-7,9,11-15H2,1-5H3,(H,22,24)
InChIKeyMMFRGDZOOKYMOM-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.20
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'}

Analyze 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
CID 6320518
3,7,11,15-tetramethyl-N-(1-sulfanylethyl)hexadeca-2,6,10,14-tetraenamide
CID 57031108
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
CID 10473146
(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 24842201
(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
CID 12781848
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
acetyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
CID 146405929
[(2S)-3-acetyloxy-2-hydroxypropyl] (2Z,6E,10E)-7,11,15-trimethyl-3-(113C)methyl(313C)hexadeca-2,6,10,14-tetraenoate
CID 101025386

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
The IUPAC name of 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide (CID 70401956) is 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide.
What is the SMILES notation for 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
The canonical SMILES for 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide is CC(C)=CCCC(C)=CCCC(C)=CC(=O)NC(C)N1CCOCC1.
What is the InChIKey of 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
The InChIKey is MMFRGDZOOKYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-17(2)8-6-9-18(3)10-7-11-19(4)16-21(24)22-20(5)23-12-14-25-15-13-23/h8,10,16,20H,6-7,9,11-15H2,1-5H3,(H,22,24).
What are the key properties of 3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide?
3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide has a molecular weight of 348.53 g/mol, XLogP of 4.20, 9 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-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide is sourced from PubChem (CID 70401956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).