2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide

C14H25F3N2O2 — CID 43698430

IUPAC2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-9(2)12(18)13(20)19-10-5-4-6-11(7-10)21-8-14(15,16)17/h9-12H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyZMNSMDLQIKXNKB-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds6

About 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide

2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (PubChem CID 43698430) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
PubChem CID43698430
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-9(2)12(18)13(20)19-10-5-4-6-11(7-10)21-8-14(15,16)17/h9-12H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyZMNSMDLQIKXNKB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (CID 43698430) is 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is CCC(C)C(N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The InChIKey is ZMNSMDLQIKXNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-9(2)12(18)13(20)19-10-5-4-6-11(7-10)21-8-14(15,16)17/h9-12H,3-8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide has a molecular weight of 310.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is sourced from PubChem (CID 43698430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).