N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide

C14H26F3NO3 — CID 164604867

IUPACN-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
SMILESCCCC(CC)COC(C)C(COC(F)(F)F)NC(C)=O
InChIInChI=1S/C14H26F3NO3/c1-5-7-12(6-2)8-20-10(3)13(18-11(4)19)9-21-14(15,16)17/h10,12-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyDPOJHSMFKRVVOU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.26
Rot. Bonds10

About N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide

N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide (PubChem CID 164604867) has the molecular formula C14H26F3NO3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
PubChem CID164604867
Molecular FormulaC14H26F3NO3
Molecular Weight313.36 g/mol
Exact Mass313.19
IUPAC NameN-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide
SMILESCCCC(CC)COC(C)C(COC(F)(F)F)NC(C)=O
InChIInChI=1S/C14H26F3NO3/c1-5-7-12(6-2)8-20-10(3)13(18-11(4)19)9-21-14(15,16)17/h10,12-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyDPOJHSMFKRVVOU-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
The IUPAC name of N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide (CID 164604867) is N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide.
What is the SMILES notation for N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
The canonical SMILES for N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide is CCCC(CC)COC(C)C(COC(F)(F)F)NC(C)=O.
What is the InChIKey of N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
The InChIKey is DPOJHSMFKRVVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO3/c1-5-7-12(6-2)8-20-10(3)13(18-11(4)19)9-21-14(15,16)17/h10,12-13H,5-9H2,1-4H3,(H,18,19).
What are the key properties of N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide?
N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpentoxy)-1-(trifluoromethoxy)butan-2-yl]acetamide is sourced from PubChem (CID 164604867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).