N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C16H32F2N2O3 — CID 138467171

IUPACN-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)NCC(F)COCC(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C16H32F2N2O3/c1-15(2,3)20-8-13(18)10-22-9-12(17)7-19-14(21)11-23-16(4,5)6/h12-13,20H,7-11H2,1-6H3,(H,19,21)
InChIKeySWMGDXHCMSJKSW-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.00
Rot. Bonds10

About N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 138467171) has the molecular formula C16H32F2N2O3 and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID138467171
Molecular FormulaC16H32F2N2O3
Molecular Weight338.44 g/mol
Exact Mass338.24
IUPAC NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)NCC(F)COCC(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C16H32F2N2O3/c1-15(2,3)20-8-13(18)10-22-9-12(17)7-19-14(21)11-23-16(4,5)6/h12-13,20H,7-11H2,1-6H3,(H,19,21)
InChIKeySWMGDXHCMSJKSW-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 138467171) is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)NCC(F)COCC(F)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is SWMGDXHCMSJKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2N2O3/c1-15(2,3)20-8-13(18)10-22-9-12(17)7-19-14(21)11-23-16(4,5)6/h12-13,20H,7-11H2,1-6H3,(H,19,21).
What are the key properties of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 338.44 g/mol, XLogP of 2.00, 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)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 138467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).