2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

C13H23F3N2O — CID 60719816

IUPAC2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCCC(C)NCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-3-9(2)17-8-12(19)18-11-7-5-4-6-10(11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHYUPDTSUTPBCAT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds5

About 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 60719816) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID60719816
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
SMILESCCC(C)NCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-3-9(2)17-8-12(19)18-11-7-5-4-6-10(11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyHYUPDTSUTPBCAT-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide (CID 60719816) is 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide is CCC(C)NCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is HYUPDTSUTPBCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-9(2)17-8-12(19)18-11-7-5-4-6-10(11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide?
2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 60719816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).