N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide

C14H23FN2O2 — CID 89153928

IUPACN-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide
SMILESC=CCC(F)/C=C(\CNC=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H23FN2O2/c1-4-5-13(15)6-14(7-16-10-18)17-8-11(2)19-12(3)9-17/h4,6,10-13H,1,5,7-9H2,2-3H3,(H,16,18)/b14-6+
InChIKeySSIIGWBZTNSLQF-MKMNVTDBSA-N
MW270.35 g/mol
LogP1.64
Rot. Bonds7

About N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide

N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide (PubChem CID 89153928) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide
PubChem CID89153928
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC NameN-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide
SMILESC=CCC(F)/C=C(\CNC=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H23FN2O2/c1-4-5-13(15)6-14(7-16-10-18)17-8-11(2)19-12(3)9-17/h4,6,10-13H,1,5,7-9H2,2-3H3,(H,16,18)/b14-6+
InChIKeySSIIGWBZTNSLQF-MKMNVTDBSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide?
The IUPAC name of N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide (CID 89153928) is N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide.
What is the SMILES notation for N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide?
The canonical SMILES for N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide is C=CCC(F)/C=C(\CNC=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide?
The InChIKey is SSIIGWBZTNSLQF-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-4-5-13(15)6-14(7-16-10-18)17-8-11(2)19-12(3)9-17/h4,6,10-13H,1,5,7-9H2,2-3H3,(H,16,18)/b14-6+.
What are the key properties of N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide?
N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide has a molecular weight of 270.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(2,6-dimethylmorpholin-4-yl)-4-fluorohepta-2,6-dienyl]formamide is sourced from PubChem (CID 89153928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).