2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide

C10H18F3N3O2 — CID 78957978

IUPAC2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-7(2)9(18)16-4-3-15-8(17)5-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGMJLUXUEBMJLFD-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.03
Rot. Bonds7

About 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide

2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide (PubChem CID 78957978) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide
PubChem CID78957978
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-7(2)9(18)16-4-3-15-8(17)5-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGMJLUXUEBMJLFD-UHFFFAOYSA-N
XLogP0.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
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 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide (CID 78957978) is 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide?
The InChIKey is GMJLUXUEBMJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-7(2)9(18)16-4-3-15-8(17)5-14-6-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide has a molecular weight of 269.27 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 78957978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).