2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide

C9H15F3N2O2 — CID 108934880

IUPAC2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
SMILESCC(C)C(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-6(2)7(15)13-4-3-5-14-8(16)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVTAIAQXESFBCPU-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.83
Rot. Bonds5

About 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide

2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide (PubChem CID 108934880) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
PubChem CID108934880
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
SMILESCC(C)C(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-6(2)7(15)13-4-3-5-14-8(16)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVTAIAQXESFBCPU-UHFFFAOYSA-N
XLogP0.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide (CID 108934880) is 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide is CC(C)C(=O)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The InChIKey is VTAIAQXESFBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(2)7(15)13-4-3-5-14-8(16)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide is sourced from PubChem (CID 108934880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).