N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide

C11H19F3N2O3 — CID 171594099

IUPACN-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6(2)9(17)16-8(10(18)15-4)7(3)19-5-11(12,13)14/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyKDXVAGATXCQFPN-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.84
Rot. Bonds6

About N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide

N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide (PubChem CID 171594099) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide
PubChem CID171594099
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC NameN-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-6(2)9(17)16-8(10(18)15-4)7(3)19-5-11(12,13)14/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyKDXVAGATXCQFPN-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 120926207
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CID 132076302
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CID 146435298
CID 146435298
CID 164604200
CID 164604200
CID 164604281
CID 164604281
CID 164605014
CID 164605014
CID 166733497
CID 166733497
CID 170755651
CID 170755651
CID 170758152
CID 170758152
CID 170758153
CID 170758153
CID 171593678
CID 171593678
CID 176272224
CID 176272224

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide?
The IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide (CID 171594099) is N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide.
What is the SMILES notation for N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide?
The canonical SMILES for N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)OCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide?
The InChIKey is KDXVAGATXCQFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-6(2)9(17)16-8(10(18)15-4)7(3)19-5-11(12,13)14/h6-8H,5H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide?
N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide has a molecular weight of 284.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropanoylamino)-3-(2,2,2-trifluoroethoxy)butanamide is sourced from PubChem (CID 171594099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).