N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide

C14H27F3N2O3 — CID 146574408

IUPACN-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(F)(F)COCC(F)CNC(C)(C)C
InChIInChI=1S/C14H27F3N2O3/c1-5-21-8-12(20)18-9-14(16,17)10-22-7-11(15)6-19-13(2,3)4/h11,19H,5-10H2,1-4H3,(H,18,20)
InChIKeyWQADRRDMNCGQSY-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.52
Rot. Bonds11

About N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide

N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide (PubChem CID 146574408) has the molecular formula C14H27F3N2O3 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide
PubChem CID146574408
Molecular FormulaC14H27F3N2O3
Molecular Weight328.38 g/mol
Exact Mass328.20
IUPAC NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(F)(F)COCC(F)CNC(C)(C)C
InChIInChI=1S/C14H27F3N2O3/c1-5-21-8-12(20)18-9-14(16,17)10-22-7-11(15)6-19-13(2,3)4/h11,19H,5-10H2,1-4H3,(H,18,20)
InChIKeyWQADRRDMNCGQSY-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide (CID 146574408) is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide is CCOCC(=O)NCC(F)(F)COCC(F)CNC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide?
The InChIKey is WQADRRDMNCGQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O3/c1-5-21-8-12(20)18-9-14(16,17)10-22-7-11(15)6-19-13(2,3)4/h11,19H,5-10H2,1-4H3,(H,18,20).
What are the key properties of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide?
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide has a molecular weight of 328.38 g/mol, XLogP of 1.52, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide is sourced from PubChem (CID 146574408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).