N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide

C10H19F3N2O — CID 43116679

IUPACN-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)4-5-14-9(16)8(3)15-6-10(11,12)13/h7-8,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyXPIRZCMOBKURCC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.69
Rot. Bonds6

About N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide

N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43116679) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43116679
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)4-5-14-9(16)8(3)15-6-10(11,12)13/h7-8,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyXPIRZCMOBKURCC-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 43116679) is N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide is CC(C)CCNC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is XPIRZCMOBKURCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)4-5-14-9(16)8(3)15-6-10(11,12)13/h7-8,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide?
N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 240.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43116679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).