N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide

C14H22F2N2O — CID 143530016

IUPACN-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide
SMILESC/C=C\C(NCCN(CC)C(C)=O)=C(F)/C=C(\C)F
InChIInChI=1S/C14H22F2N2O/c1-5-7-14(13(16)10-11(3)15)17-8-9-18(6-2)12(4)19/h5,7,10,17H,6,8-9H2,1-4H3/b7-5-,11-10+,14-13-
InChIKeyWIKBAENWYMBGAC-ZLUPKWDLSA-N
MW272.34 g/mol
LogP3.07
Rot. Bonds7

About N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide

N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide (PubChem CID 143530016) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide
PubChem CID143530016
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide
SMILESC/C=C\C(NCCN(CC)C(C)=O)=C(F)/C=C(\C)F
InChIInChI=1S/C14H22F2N2O/c1-5-7-14(13(16)10-11(3)15)17-8-9-18(6-2)12(4)19/h5,7,10,17H,6,8-9H2,1-4H3/b7-5-,11-10+,14-13-
InChIKeyWIKBAENWYMBGAC-ZLUPKWDLSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide with MolForge

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Related Compounds

(2Z)-3-amino-N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
CID 118900963
(E)-N-[(2Z)-2-aminopenta-2,4-dienyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 121464234
2-(2-fluoroethylamino)-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]acetamide
CID 142402250
N'-[(2E)-4-(2,2,2-trifluoroethylamino)penta-2,4-dienyl]oxamide
CID 171822303
5-Amino-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
CID 55006694
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one
CID 60876981
6-Methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
CID 62565646
1-[2-[2-(Diethylamino)ethylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81309766
1-[2-(Ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318787
1-[2-(Prop-2-enylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318802
1-[2-(Propylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318898
1-[2-(Tert-butylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319027

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide?
The IUPAC name of N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide (CID 143530016) is N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide.
What is the SMILES notation for N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide?
The canonical SMILES for N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide is C/C=C\C(NCCN(CC)C(C)=O)=C(F)/C=C(\C)F.
What is the InChIKey of N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide?
The InChIKey is WIKBAENWYMBGAC-ZLUPKWDLSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-5-7-14(13(16)10-11(3)15)17-8-9-18(6-2)12(4)19/h5,7,10,17H,6,8-9H2,1-4H3/b7-5-,11-10+,14-13-.
What are the key properties of N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide?
N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide has a molecular weight of 272.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2Z,4Z,6E)-5,7-difluoroocta-2,4,6-trien-4-yl]amino]ethyl]-N-ethylacetamide is sourced from PubChem (CID 143530016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).