2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N2O2 — CID 65052907

IUPAC2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O2/c1-10(2)11-3-5-13(8-18,6-4-11)21-7-12(20)19-9-14(15,16)17/h10-11H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyDCMVZKJCEQIDQT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.23
Rot. Bonds6

About 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65052907) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65052907
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O2/c1-10(2)11-3-5-13(8-18,6-4-11)21-7-12(20)19-9-14(15,16)17/h10-11H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyDCMVZKJCEQIDQT-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
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-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 65052907) is 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is CC(C)C1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DCMVZKJCEQIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-10(2)11-3-5-13(8-18,6-4-11)21-7-12(20)19-9-14(15,16)17/h10-11H,3-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65052907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).