3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide

C17H30N2O2 — CID 72671758

IUPAC3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-15(2)6-4-7-16(3)14-17(20)18-8-5-9-19-10-12-21-13-11-19/h6,14H,4-5,7-13H2,1-3H3,(H,18,20)
InChIKeyRCKQMYACOCDYKC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.52
Rot. Bonds8

About 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide

3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide (PubChem CID 72671758) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide.

Molecular Properties

Compound Name3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
PubChem CID72671758
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-15(2)6-4-7-16(3)14-17(20)18-8-5-9-19-10-12-21-13-11-19/h6,14H,4-5,7-13H2,1-3H3,(H,18,20)
InChIKeyRCKQMYACOCDYKC-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(2E,6E)-3,7,11-trimethyl-1-morpholino-dodeca-2,6,10-trien-1-one
CID 5275519
(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 60168515
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dien-1-amine
CID 72671760
(6Z)-3,7,11-trimethyl-N-(3-morpholin-4-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 156020897
N-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
(Z)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)pent-2-enamide
CID 51080936
2-cyclohexylidene-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 51092248
3,7,11-Trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
CID 6320518
(2E,6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-2,6,10,14-tetraen-1-one
CID 12922543
(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
CID 21060382
(2E,6E)-3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
CID 21297916
(2E,6E,10E)-3,7,11,15-tetramethyl-N-(1-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
CID 21297962

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide?
The IUPAC name of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide (CID 72671758) is 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide.
What is the SMILES notation for 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide?
The canonical SMILES for 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide is CC(C)=CCCC(C)=CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide?
The InChIKey is RCKQMYACOCDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-15(2)6-4-7-16(3)14-17(20)18-8-5-9-19-10-12-21-13-11-19/h6,14H,4-5,7-13H2,1-3H3,(H,18,20).
What are the key properties of 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide?
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide has a molecular weight of 294.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide is sourced from PubChem (CID 72671758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).