N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide

C9H16F3N3O2 — CID 55007028

IUPACN-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCCCN(CC(F)(F)F)C(=O)C(=O)NCCN
InChIInChI=1S/C9H16F3N3O2/c1-2-5-15(6-9(10,11)12)8(17)7(16)14-4-3-13/h2-6,13H2,1H3,(H,14,16)
InChIKeyMIIFEBXRXIFWIF-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.14
Rot. Bonds5

About N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide

N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 55007028) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID55007028
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC NameN-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCCCN(CC(F)(F)F)C(=O)C(=O)NCCN
InChIInChI=1S/C9H16F3N3O2/c1-2-5-15(6-9(10,11)12)8(17)7(16)14-4-3-13/h2-6,13H2,1H3,(H,14,16)
InChIKeyMIIFEBXRXIFWIF-UHFFFAOYSA-N
XLogP-0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide (CID 55007028) is N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide is CCCN(CC(F)(F)F)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is MIIFEBXRXIFWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-2-5-15(6-9(10,11)12)8(17)7(16)14-4-3-13/h2-6,13H2,1H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide?
N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 255.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 55007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).