(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide

C16H28F4N2O2 — CID 118349035

IUPAC(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide
SMILESCN[C@H](CC(C)C)C(=O)NCCOC1CC(F)CC(C(F)(F)F)C1
InChIInChI=1S/C16H28F4N2O2/c1-10(2)6-14(21-3)15(23)22-4-5-24-13-8-11(16(18,19)20)7-12(17)9-13/h10-14,21H,4-9H2,1-3H3,(H,22,23)/t11?,12?,13?,14-/m1/s1
InChIKeyKHBKMBZBRZNWNU-SLDMJWGPSA-N
MW356.40 g/mol
LogP2.82
Rot. Bonds8

About (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide

(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide (PubChem CID 118349035) has the molecular formula C16H28F4N2O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide
PubChem CID118349035
Molecular FormulaC16H28F4N2O2
Molecular Weight356.40 g/mol
Exact Mass356.21
IUPAC Name(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide
SMILESCN[C@H](CC(C)C)C(=O)NCCOC1CC(F)CC(C(F)(F)F)C1
InChIInChI=1S/C16H28F4N2O2/c1-10(2)6-14(21-3)15(23)22-4-5-24-13-8-11(16(18,19)20)7-12(17)9-13/h10-14,21H,4-9H2,1-3H3,(H,22,23)/t11?,12?,13?,14-/m1/s1
InChIKeyKHBKMBZBRZNWNU-SLDMJWGPSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide?
The IUPAC name of (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide (CID 118349035) is (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide?
The canonical SMILES for (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide is CN[C@H](CC(C)C)C(=O)NCCOC1CC(F)CC(C(F)(F)F)C1.
What is the InChIKey of (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide?
The InChIKey is KHBKMBZBRZNWNU-SLDMJWGPSA-N. The full InChI is InChI=1S/C16H28F4N2O2/c1-10(2)6-14(21-3)15(23)22-4-5-24-13-8-11(16(18,19)20)7-12(17)9-13/h10-14,21H,4-9H2,1-3H3,(H,22,23)/t11?,12?,13?,14-/m1/s1.
What are the key properties of (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide?
(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide has a molecular weight of 356.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 118349035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).