2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide

C14H23FN2O2 — CID 177353764

IUPAC2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide
SMILESCC/C(=C\C(F)=C(C)C)NC(CCC=O)C(=O)NC
InChIInChI=1S/C14H23FN2O2/c1-5-11(9-12(15)10(2)3)17-13(7-6-8-18)14(19)16-4/h8-9,13,17H,5-7H2,1-4H3,(H,16,19)/b11-9+
InChIKeyQYGFXDZQAFQWSX-PKNBQFBNSA-N
MW270.35 g/mol
LogP2.23
Rot. Bonds8

About 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide

2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide (PubChem CID 177353764) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide
PubChem CID177353764
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide
SMILESCC/C(=C\C(F)=C(C)C)NC(CCC=O)C(=O)NC
InChIInChI=1S/C14H23FN2O2/c1-5-11(9-12(15)10(2)3)17-13(7-6-8-18)14(19)16-4/h8-9,13,17H,5-7H2,1-4H3,(H,16,19)/b11-9+
InChIKeyQYGFXDZQAFQWSX-PKNBQFBNSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide (CID 177353764) is 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide is CC/C(=C\C(F)=C(C)C)NC(CCC=O)C(=O)NC.
What is the InChIKey of 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide?
The InChIKey is QYGFXDZQAFQWSX-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-5-11(9-12(15)10(2)3)17-13(7-6-8-18)14(19)16-4/h8-9,13,17H,5-7H2,1-4H3,(H,16,19)/b11-9+.
What are the key properties of 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide?
2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide has a molecular weight of 270.35 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]amino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 177353764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).