(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide

C16H22BFN2O3 — CID 142846530

IUPAC(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide
SMILESCB(F)c1ncccc1OCCCCCN(C)C(=O)/C=C\C=O
InChIInChI=1S/C16H22BFN2O3/c1-17(18)16-14(8-6-10-19-16)23-13-5-3-4-11-20(2)15(22)9-7-12-21/h6-10,12H,3-5,11,13H2,1-2H3/b9-7-
InChIKeyNWFTWDZDDLOLAK-CLFYSBASSA-N
MW320.17 g/mol
LogP1.64
Rot. Bonds10

About (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide

(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide (PubChem CID 142846530) has the molecular formula C16H22BFN2O3 and a molecular weight of 320.17 g/mol. Its IUPAC name is (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide
PubChem CID142846530
Molecular FormulaC16H22BFN2O3
Molecular Weight320.17 g/mol
Exact Mass320.17
IUPAC Name(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide
SMILESCB(F)c1ncccc1OCCCCCN(C)C(=O)/C=C\C=O
InChIInChI=1S/C16H22BFN2O3/c1-17(18)16-14(8-6-10-19-16)23-13-5-3-4-11-20(2)15(22)9-7-12-21/h6-10,12H,3-5,11,13H2,1-2H3/b9-7-
InChIKeyNWFTWDZDDLOLAK-CLFYSBASSA-N
XLogP1.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide with MolForge

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Related Compounds

(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide
CID 163501013
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
3-(6-bromohexoxy)-2-methylpyridine
CID 145360692
ethane;methanamine;6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]-N-(2-oxoethyl)hexanamide
CID 177148979
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
CID 143366489
5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
CID 107203500
N-(3-aminopropyl)-N-methyl-3-quinolin-8-yloxypropanamide
CID 43254317
4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 142369721
(Z)-N-methyl-N-[6-(3-methylazetidin-1-yl)-6-oxohexyl]-4-oxobut-2-enamide
CID 145077046
6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]-N-[2-oxo-2-[[1-oxo-1-[[6-(sulfanylmethyl)-3-pyridinyl]amino]propan-2-yl]amino]ethyl]hexanamide;propane
CID 176555738
3-butoxypyridine-2-carbaldehyde
CID 86631140
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide (CID 142846530) is (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide is CB(F)c1ncccc1OCCCCCN(C)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide?
The InChIKey is NWFTWDZDDLOLAK-CLFYSBASSA-N. The full InChI is InChI=1S/C16H22BFN2O3/c1-17(18)16-14(8-6-10-19-16)23-13-5-3-4-11-20(2)15(22)9-7-12-21/h6-10,12H,3-5,11,13H2,1-2H3/b9-7-.
What are the key properties of (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide?
(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide has a molecular weight of 320.17 g/mol, XLogP of 1.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide is sourced from PubChem (CID 142846530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).