N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide

C11H20F3N3O3 — CID 170312273

IUPACN'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
SMILESNCCOCCNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c12-11(13,14)3-5-16-9(18)1-2-10(19)17-6-8-20-7-4-15/h1-8,15H2,(H,16,18)(H,17,19)
InChIKeyOJUFYEMUQAMTSD-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.07
Rot. Bonds10

About N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide

N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide (PubChem CID 170312273) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
PubChem CID170312273
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC NameN'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
SMILESNCCOCCNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c12-11(13,14)3-5-16-9(18)1-2-10(19)17-6-8-20-7-4-15/h1-8,15H2,(H,16,18)(H,17,19)
InChIKeyOJUFYEMUQAMTSD-UHFFFAOYSA-N
XLogP-0.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
The IUPAC name of N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide (CID 170312273) is N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide.
What is the SMILES notation for N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
The canonical SMILES for N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide is NCCOCCNC(=O)CCC(=O)NCCC(F)(F)F.
What is the InChIKey of N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
The InChIKey is OJUFYEMUQAMTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c12-11(13,14)3-5-16-9(18)1-2-10(19)17-6-8-20-7-4-15/h1-8,15H2,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide has a molecular weight of 299.29 g/mol, XLogP of -0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide is sourced from PubChem (CID 170312273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).