N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide

C14H24F3N3O2 — CID 75457135

IUPACN-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-13(2,3)20-12(22)19-11(21)8-18-10-7-5-4-6-9(10)14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H2,19,20,21,22)
InChIKeyCQMRRQROJZABKU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.32
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide

N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide (PubChem CID 75457135) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
PubChem CID75457135
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3N3O2/c1-13(2,3)20-12(22)19-11(21)8-18-10-7-5-4-6-9(10)14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H2,19,20,21,22)
InChIKeyCQMRRQROJZABKU-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide (CID 75457135) is N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide is CC(C)(C)NC(=O)NC(=O)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide?
The InChIKey is CQMRRQROJZABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-13(2,3)20-12(22)19-11(21)8-18-10-7-5-4-6-9(10)14(15,16)17/h9-10,18H,4-8H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide?
N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 75457135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).