2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O — CID 60684326

IUPAC2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)NCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-4-9(2)17-7-12(19)18(8-13(14,15)16)10(3)11-5-6-11/h9-11,17H,4-8H2,1-3H3
InChIKeyJRYDKCVWSDQHMX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.56
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60684326) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60684326
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(C)NCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-4-9(2)17-7-12(19)18(8-13(14,15)16)10(3)11-5-6-11/h9-11,17H,4-8H2,1-3H3
InChIKeyJRYDKCVWSDQHMX-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60684326) is 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide is CCC(C)NCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JRYDKCVWSDQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-9(2)17-7-12(19)18(8-13(14,15)16)10(3)11-5-6-11/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60684326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).