propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide

C14H23F3N2O — CID 143768559

IUPACpropane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide
SMILESC=C/C=C(\C=C)NC(CC(=O)NC)C(F)(F)F.CCC
InChIInChI=1S/C11H15F3N2O.C3H8/c1-4-6-8(5-2)16-9(11(12,13)14)7-10(17)15-3;1-3-2/h4-6,9,16H,1-2,7H2,3H3,(H,15,17);3H2,1-2H3/b8-6+;
InChIKeyMLIXSHNRDVGZTO-WVLIHFOGSA-N
MW292.35 g/mol
LogP3.32
Rot. Bonds6

About propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide

propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide (PubChem CID 143768559) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide.

Molecular Properties

Compound Namepropane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide
PubChem CID143768559
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Namepropane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide
SMILESC=C/C=C(\C=C)NC(CC(=O)NC)C(F)(F)F.CCC
InChIInChI=1S/C11H15F3N2O.C3H8/c1-4-6-8(5-2)16-9(11(12,13)14)7-10(17)15-3;1-3-2/h4-6,9,16H,1-2,7H2,3H3,(H,15,17);3H2,1-2H3/b8-6+;
InChIKeyMLIXSHNRDVGZTO-WVLIHFOGSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide with MolForge

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Related Compounds

(2E)-N-methyl-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]penta-2,4-dienamide
CID 90245813
methanamine;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanal
CID 143657548
3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 143657670
4,4,4-trifluoro-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768458
ethane;4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768468
4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(methylamino)butanamide
CID 143768469
4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2-methylhydrazinyl)butanamide
CID 143768717
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]butanamide
CID 143768829
4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-iodobutanamide
CID 143768843
N'-[(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-yl]-N-methylpropanediamide
CID 143768920
1-[3-(Propylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319397
1-[3-(Ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319657

Frequently Asked Questions

What is the IUPAC name of propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide?
The IUPAC name of propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide (CID 143768559) is propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide.
What is the SMILES notation for propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide?
The canonical SMILES for propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide is C=C/C=C(\C=C)NC(CC(=O)NC)C(F)(F)F.CCC.
What is the InChIKey of propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide?
The InChIKey is MLIXSHNRDVGZTO-WVLIHFOGSA-N. The full InChI is InChI=1S/C11H15F3N2O.C3H8/c1-4-6-8(5-2)16-9(11(12,13)14)7-10(17)15-3;1-3-2/h4-6,9,16H,1-2,7H2,3H3,(H,15,17);3H2,1-2H3/b8-6+;.
What are the key properties of propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide?
propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide has a molecular weight of 292.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4,4,4-trifluoro-3-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methylbutanamide is sourced from PubChem (CID 143768559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).