N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide

C14H25F3N2O3 — CID 170312322

IUPACN-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide
SMILESCCOC(C)(C)CCNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-4-22-13(2,3)7-9-18-11(20)5-6-12(21)19-10-8-14(15,16)17/h4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOFXXENTYLLUJMJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.16
Rot. Bonds10

About N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide

N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide (PubChem CID 170312322) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide.

Molecular Properties

Compound NameN-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide
PubChem CID170312322
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC NameN-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide
SMILESCCOC(C)(C)CCNC(=O)CCC(=O)NCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-4-22-13(2,3)7-9-18-11(20)5-6-12(21)19-10-8-14(15,16)17/h4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOFXXENTYLLUJMJ-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide?
The IUPAC name of N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide (CID 170312322) is N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide.
What is the SMILES notation for N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide?
The canonical SMILES for N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide is CCOC(C)(C)CCNC(=O)CCC(=O)NCCC(F)(F)F.
What is the InChIKey of N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide?
The InChIKey is OFXXENTYLLUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-4-22-13(2,3)7-9-18-11(20)5-6-12(21)19-10-8-14(15,16)17/h4-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide?
N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide has a molecular weight of 326.36 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide is sourced from PubChem (CID 170312322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).