N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C16H32F2N2O3 — CID 138467169

IUPACN-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)NCCCOCC(F)(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C16H32F2N2O3/c1-14(2,3)20-8-7-9-22-12-16(17,18)11-19-13(21)10-23-15(4,5)6/h20H,7-12H2,1-6H3,(H,19,21)
InChIKeyVVGYOOGWZCTBCQ-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.35
Rot. Bonds10

About N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 138467169) has the molecular formula C16H32F2N2O3 and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID138467169
Molecular FormulaC16H32F2N2O3
Molecular Weight338.44 g/mol
Exact Mass338.24
IUPAC NameN-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)NCCCOCC(F)(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C16H32F2N2O3/c1-14(2,3)20-8-7-9-22-12-16(17,18)11-19-13(21)10-23-15(4,5)6/h20H,7-12H2,1-6H3,(H,19,21)
InChIKeyVVGYOOGWZCTBCQ-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 138467169) is N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)NCCCOCC(F)(F)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is VVGYOOGWZCTBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2N2O3/c1-14(2,3)20-8-7-9-22-12-16(17,18)11-19-13(21)10-23-15(4,5)6/h20H,7-12H2,1-6H3,(H,19,21).
What are the key properties of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 338.44 g/mol, XLogP of 2.35, 10 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)propoxy]-2,2-difluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 138467169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).