N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide

C8H14F3N3O2 — CID 115514932

IUPACN'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
SMILESNCCNC(=O)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)2-1-4-13-6(15)7(16)14-5-3-12/h1-5,12H2,(H,13,15)(H,14,16)
InChIKeyZWDUOVNKZCITSX-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.48
Rot. Bonds5

About N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide

N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide (PubChem CID 115514932) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
PubChem CID115514932
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
SMILESNCCNC(=O)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)2-1-4-13-6(15)7(16)14-5-3-12/h1-5,12H2,(H,13,15)(H,14,16)
InChIKeyZWDUOVNKZCITSX-UHFFFAOYSA-N
XLogP-0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
CID 115519305
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
ethyl N-(4,4,4-trifluorobutyl)carbamate
CID 79039127
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519316
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide?
The IUPAC name of N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide (CID 115514932) is N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide.
What is the SMILES notation for N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide?
The canonical SMILES for N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide is NCCNC(=O)C(=O)NCCCC(F)(F)F.
What is the InChIKey of N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide?
The InChIKey is ZWDUOVNKZCITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)2-1-4-13-6(15)7(16)14-5-3-12/h1-5,12H2,(H,13,15)(H,14,16).
What are the key properties of N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide?
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide has a molecular weight of 241.21 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide is sourced from PubChem (CID 115514932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).