N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide

C14H23F3N2O3 — CID 171593678

IUPACN-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3/c1-8(2)11(20)19-10(12(21)18-4)9(3)22-7-13(5-6-13)14(15,16)17/h8-10H,5-7H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFIFDELVRSQGDKN-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.62
Rot. Bonds7

About N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide

N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide (PubChem CID 171593678) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
PubChem CID171593678
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC NameN-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O3/c1-8(2)11(20)19-10(12(21)18-4)9(3)22-7-13(5-6-13)14(15,16)17/h8-10H,5-7H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFIFDELVRSQGDKN-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide (CID 171593678) is N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide.
What is the SMILES notation for N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The canonical SMILES for N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)OCC1(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The InChIKey is FIFDELVRSQGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-8(2)11(20)19-10(12(21)18-4)9(3)22-7-13(5-6-13)14(15,16)17/h8-10H,5-7H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
N-methyl-2-(2-methylpropanoylamino)-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide has a molecular weight of 324.34 g/mol, XLogP of 1.62, 7 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-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide is sourced from PubChem (CID 171593678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).