(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide

C15H24FNO — CID 170732937

IUPAC(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide
SMILESCCCCNC(=O)C(/C=C(\C)CC)=C/C=C(\C)F
InChIInChI=1S/C15H24FNO/c1-5-7-10-17-15(18)14(9-8-13(4)16)11-12(3)6-2/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)/b12-11+,13-8+,14-9+
InChIKeyJWYNGPRRZWEYLS-MJPPZECFSA-N
MW253.36 g/mol
LogP4.06
Rot. Bonds7

About (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide

(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide (PubChem CID 170732937) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide
PubChem CID170732937
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide
SMILESCCCCNC(=O)C(/C=C(\C)CC)=C/C=C(\C)F
InChIInChI=1S/C15H24FNO/c1-5-7-10-17-15(18)14(9-8-13(4)16)11-12(3)6-2/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)/b12-11+,13-8+,14-9+
InChIKeyJWYNGPRRZWEYLS-MJPPZECFSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide (CID 170732937) is (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide is CCCCNC(=O)C(/C=C(\C)CC)=C/C=C(\C)F.
What is the InChIKey of (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide?
The InChIKey is JWYNGPRRZWEYLS-MJPPZECFSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-7-10-17-15(18)14(9-8-13(4)16)11-12(3)6-2/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)/b12-11+,13-8+,14-9+.
What are the key properties of (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide?
(2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide has a molecular weight of 253.36 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-butyl-5-fluoro-2-[(E)-2-methylbut-1-enyl]hexa-2,4-dienamide is sourced from PubChem (CID 170732937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).