2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide

C15H22F8N2O — CID 162586471

IUPAC2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide
SMILESC=C(C)C(C)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)C(C)C
InChIInChI=1S/C15H22F8N2O/c1-8(2)10(5)24-6-12(16,17)14(20,21)15(22,23)13(18,19)7-25-11(26)9(3)4/h9-10,24H,1,6-7H2,2-5H3,(H,25,26)
InChIKeyUGEWLLXAHAHKMX-UHFFFAOYSA-N
MW398.34 g/mol
LogP3.85
Rot. Bonds10

About 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide

2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide (PubChem CID 162586471) has the molecular formula C15H22F8N2O and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide
PubChem CID162586471
Molecular FormulaC15H22F8N2O
Molecular Weight398.34 g/mol
Exact Mass398.16
IUPAC Name2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide
SMILESC=C(C)C(C)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)C(C)C
InChIInChI=1S/C15H22F8N2O/c1-8(2)10(5)24-6-12(16,17)14(20,21)15(22,23)13(18,19)7-25-11(26)9(3)4/h9-10,24H,1,6-7H2,2-5H3,(H,25,26)
InChIKeyUGEWLLXAHAHKMX-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 130436254
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CID 167135190
ethane;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 145182364
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
CID 153344451
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide
CID 111444753
N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide
CID 178007857
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide?
The IUPAC name of 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide (CID 162586471) is 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide?
The canonical SMILES for 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide is C=C(C)C(C)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide?
The InChIKey is UGEWLLXAHAHKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F8N2O/c1-8(2)10(5)24-6-12(16,17)14(20,21)15(22,23)13(18,19)7-25-11(26)9(3)4/h9-10,24H,1,6-7H2,2-5H3,(H,25,26).
What are the key properties of 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide?
2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide has a molecular weight of 398.34 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide is sourced from PubChem (CID 162586471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).