4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide

C13H24F3N3O — CID 64712177

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)N(CC(F)(F)F)C1CC1)C(N)=O
InChIInChI=1S/C13H24F3N3O/c1-4-18-12(3,11(17)20)7-9(2)19(10-5-6-10)8-13(14,15)16/h9-10,18H,4-8H2,1-3H3,(H2,17,20)
InChIKeyQSWFKCDAIGXPCI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.65
Rot. Bonds8

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide (PubChem CID 64712177) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
PubChem CID64712177
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)N(CC(F)(F)F)C1CC1)C(N)=O
InChIInChI=1S/C13H24F3N3O/c1-4-18-12(3,11(17)20)7-9(2)19(10-5-6-10)8-13(14,15)16/h9-10,18H,4-8H2,1-3H3,(H2,17,20)
InChIKeyQSWFKCDAIGXPCI-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide (CID 64712177) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide is CCNC(C)(CC(C)N(CC(F)(F)F)C1CC1)C(N)=O.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide?
The InChIKey is QSWFKCDAIGXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-4-18-12(3,11(17)20)7-9(2)19(10-5-6-10)8-13(14,15)16/h9-10,18H,4-8H2,1-3H3,(H2,17,20).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide has a molecular weight of 295.35 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 64712177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).