2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide

C11H16F6N2O2 — CID 102722876

IUPAC2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide
SMILESCC(CCOC(C(F)(F)F)C(F)(F)F)(NC1CC1)C(N)=O
InChIInChI=1S/C11H16F6N2O2/c1-9(8(18)20,19-6-2-3-6)4-5-21-7(10(12,13)14)11(15,16)17/h6-7,19H,2-5H2,1H3,(H2,18,20)
InChIKeyXLHXSCOEDWAAGP-UHFFFAOYSA-N
MW322.25 g/mol
LogP1.88
Rot. Bonds7

About 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide

2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide (PubChem CID 102722876) has the molecular formula C11H16F6N2O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide
PubChem CID102722876
Molecular FormulaC11H16F6N2O2
Molecular Weight322.25 g/mol
Exact Mass322.11
IUPAC Name2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide
SMILESCC(CCOC(C(F)(F)F)C(F)(F)F)(NC1CC1)C(N)=O
InChIInChI=1S/C11H16F6N2O2/c1-9(8(18)20,19-6-2-3-6)4-5-21-7(10(12,13)14)11(15,16)17/h6-7,19H,2-5H2,1H3,(H2,18,20)
InChIKeyXLHXSCOEDWAAGP-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylbutanamide
CID 64744615
2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535495
2-(cyclopropylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82960589
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
CID 82006585
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
CID 102722825

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide (CID 102722876) is 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide is CC(CCOC(C(F)(F)F)C(F)(F)F)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide?
The InChIKey is XLHXSCOEDWAAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O2/c1-9(8(18)20,19-6-2-3-6)4-5-21-7(10(12,13)14)11(15,16)17/h6-7,19H,2-5H2,1H3,(H2,18,20).
What are the key properties of 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide?
2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide has a molecular weight of 322.25 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutanamide is sourced from PubChem (CID 102722876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).