N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide

C16H25F3N2O2 — CID 128996332

IUPACN-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)C1CCCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O2/c1-12(22)21(13-4-2-5-13)14-6-3-10-20(11-8-14)15(23)7-9-16(17,18)19/h13-14H,2-11H2,1H3
InChIKeyIIVJGHZPGWNVTM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.11
Rot. Bonds4

About N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide

N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide (PubChem CID 128996332) has the molecular formula C16H25F3N2O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide
PubChem CID128996332
Molecular FormulaC16H25F3N2O2
Molecular Weight334.38 g/mol
Exact Mass334.19
IUPAC NameN-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)C1CCCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O2/c1-12(22)21(13-4-2-5-13)14-6-3-10-20(11-8-14)15(23)7-9-16(17,18)19/h13-14H,2-11H2,1H3
InChIKeyIIVJGHZPGWNVTM-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide?
The IUPAC name of N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide (CID 128996332) is N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide?
The canonical SMILES for N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide is CC(=O)N(C1CCC1)C1CCCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide?
The InChIKey is IIVJGHZPGWNVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O2/c1-12(22)21(13-4-2-5-13)14-6-3-10-20(11-8-14)15(23)7-9-16(17,18)19/h13-14H,2-11H2,1H3.
What are the key properties of N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide?
N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide is sourced from PubChem (CID 128996332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).