4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

C9H17F3N2O2 — CID 103809668

IUPAC4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCC(C)(N)CCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,13)4-3-7(16)14-5-6(15)9(10,11)12/h6,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyWCEQIXLRZUYAEF-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.54
Rot. Bonds5

About 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide

4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (PubChem CID 103809668) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
PubChem CID103809668
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
SMILESCC(C)(N)CCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,13)4-3-7(16)14-5-6(15)9(10,11)12/h6,15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyWCEQIXLRZUYAEF-UHFFFAOYSA-N
XLogP0.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The IUPAC name of 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide (CID 103809668) is 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is CC(C)(N)CCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
The InChIKey is WCEQIXLRZUYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-8(2,13)4-3-7(16)14-5-6(15)9(10,11)12/h6,15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide?
4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide has a molecular weight of 242.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide is sourced from PubChem (CID 103809668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).