2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide

C17H32FN3O — CID 177355208

IUPAC2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide
SMILESC=C/C(F)=C(\CNC(CCC)C(=O)NC)N(CCC)CCC
InChIInChI=1S/C17H32FN3O/c1-6-10-15(17(22)19-5)20-13-16(14(18)9-4)21(11-7-2)12-8-3/h9,15,20H,4,6-8,10-13H2,1-3,5H3,(H,19,22)/b16-14-
InChIKeyIYCDCKWFHNPDAZ-PEZBUJJGSA-N
MW313.46 g/mol
LogP2.98
Rot. Bonds12

About 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide

2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide (PubChem CID 177355208) has the molecular formula C17H32FN3O and a molecular weight of 313.46 g/mol. Its IUPAC name is 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide.

Molecular Properties

Compound Name2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide
PubChem CID177355208
Molecular FormulaC17H32FN3O
Molecular Weight313.46 g/mol
Exact Mass313.25
IUPAC Name2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide
SMILESC=C/C(F)=C(\CNC(CCC)C(=O)NC)N(CCC)CCC
InChIInChI=1S/C17H32FN3O/c1-6-10-15(17(22)19-5)20-13-16(14(18)9-4)21(11-7-2)12-8-3/h9,15,20H,4,6-8,10-13H2,1-3,5H3,(H,19,22)/b16-14-
InChIKeyIYCDCKWFHNPDAZ-PEZBUJJGSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-methylamino]pentanamide
CID 141953519
ethane;N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide
CID 178083110
4-butyl-6-ethenyl-5-[(Z)-prop-1-enyl]-3-propyl-1,3-dihydropyrazin-2-one
CID 143717878
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-(methylamino)pentanamide
CID 178083111

Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide?
The IUPAC name of 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide (CID 177355208) is 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide.
What is the SMILES notation for 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide?
The canonical SMILES for 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide is C=C/C(F)=C(\CNC(CCC)C(=O)NC)N(CCC)CCC.
What is the InChIKey of 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide?
The InChIKey is IYCDCKWFHNPDAZ-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H32FN3O/c1-6-10-15(17(22)19-5)20-13-16(14(18)9-4)21(11-7-2)12-8-3/h9,15,20H,4,6-8,10-13H2,1-3,5H3,(H,19,22)/b16-14-.
What are the key properties of 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide?
2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide has a molecular weight of 313.46 g/mol, XLogP of 2.98, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-2-(dipropylamino)-3-fluoropenta-2,4-dienyl]amino]-N-methylpentanamide is sourced from PubChem (CID 177355208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).