2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide

C15H25F3N2O2 — CID 120796204

IUPAC2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide
SMILESNC(C(=O)NCC1CCCCC1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)12-4-2-1-3-11(12)9-20-14(21)13(19)10-5-7-22-8-6-10/h10-13H,1-9,19H2,(H,20,21)
InChIKeyJHRRVEQQQINXQZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide

2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide (PubChem CID 120796204) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide
PubChem CID120796204
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide
SMILESNC(C(=O)NCC1CCCCC1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)12-4-2-1-3-11(12)9-20-14(21)13(19)10-5-7-22-8-6-10/h10-13H,1-9,19H2,(H,20,21)
InChIKeyJHRRVEQQQINXQZ-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide (CID 120796204) is 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide is NC(C(=O)NCC1CCCCC1C(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide?
The InChIKey is JHRRVEQQQINXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c16-15(17,18)12-4-2-1-3-11(12)9-20-14(21)13(19)10-5-7-22-8-6-10/h10-13H,1-9,19H2,(H,20,21).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 120796204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).