N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide

C11H20F3N3O2 — CID 21299789

IUPACN-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)NCCCN(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-9(18)15-5-3-7-17(2)8-4-6-16-10(19)11(12,13)14/h3-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDYRPDJJTDIXBAW-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.51
Rot. Bonds8

About N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 21299789) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID21299789
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC NameN-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)NCCCN(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-9(18)15-5-3-7-17(2)8-4-6-16-10(19)11(12,13)14/h3-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDYRPDJJTDIXBAW-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 21299789) is N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide is CC(=O)NCCCN(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is DYRPDJJTDIXBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-9(18)15-5-3-7-17(2)8-4-6-16-10(19)11(12,13)14/h3-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 283.29 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21299789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).