N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide

C15H28F3N3O3 — CID 170312252

IUPACN'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
SMILESCC(C)(C)NCCOCCNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C15H28F3N3O3/c1-14(2,3)21-9-11-24-10-8-20-13(23)5-4-12(22)19-7-6-15(16,17)18/h21H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyDFJQQXRSDHMIQA-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.36
Rot. Bonds11

About N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide

N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide (PubChem CID 170312252) has the molecular formula C15H28F3N3O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide.

Molecular Properties

Compound NameN'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
PubChem CID170312252
Molecular FormulaC15H28F3N3O3
Molecular Weight355.40 g/mol
Exact Mass355.21
IUPAC NameN'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
SMILESCC(C)(C)NCCOCCNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C15H28F3N3O3/c1-14(2,3)21-9-11-24-10-8-20-13(23)5-4-12(22)19-7-6-15(16,17)18/h21H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyDFJQQXRSDHMIQA-UHFFFAOYSA-N
XLogP1.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.36
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-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
The IUPAC name of N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide (CID 170312252) is N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide.
What is the SMILES notation for N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
The canonical SMILES for N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide is CC(C)(C)NCCOCCNC(=O)CCC(=O)NCCC(F)(F)F.
What is the InChIKey of N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
The InChIKey is DFJQQXRSDHMIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O3/c1-14(2,3)21-9-11-24-10-8-20-13(23)5-4-12(22)19-7-6-15(16,17)18/h21H,4-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide?
N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide has a molecular weight of 355.40 g/mol, XLogP of 1.36, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(tert-butylamino)ethoxy]ethyl]-N-(3,3,3-trifluoropropyl)butanediamide is sourced from PubChem (CID 170312252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).