N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide

C16H26FNO2 — CID 176578766

IUPACN-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide
SMILESC=C(F)CCC(=O)NC(C(=O)C(C)C)C1CCCCC1
InChIInChI=1S/C16H26FNO2/c1-11(2)16(20)15(13-7-5-4-6-8-13)18-14(19)10-9-12(3)17/h11,13,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyHYWSNPHEWYSQPV-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.54
Rot. Bonds7

About N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide

N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide (PubChem CID 176578766) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide
PubChem CID176578766
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide
SMILESC=C(F)CCC(=O)NC(C(=O)C(C)C)C1CCCCC1
InChIInChI=1S/C16H26FNO2/c1-11(2)16(20)15(13-7-5-4-6-8-13)18-14(19)10-9-12(3)17/h11,13,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyHYWSNPHEWYSQPV-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide?
The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide (CID 176578766) is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide.
What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide?
The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide is C=C(F)CCC(=O)NC(C(=O)C(C)C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide?
The InChIKey is HYWSNPHEWYSQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-11(2)16(20)15(13-7-5-4-6-8-13)18-14(19)10-9-12(3)17/h11,13,15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide?
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide has a molecular weight of 283.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-4-fluoropent-4-enamide is sourced from PubChem (CID 176578766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).