5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide

C13H22F3NO2 — CID 99595777

IUPAC5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCOCCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-19-8-3-2-7-12(18)17-11-6-4-5-10(9-11)13(14,15)16/h10-11H,2-9H2,1H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyWMVJCCCSSFVQGM-WDEREUQCSA-N
MW281.32 g/mol
LogP3.04
Rot. Bonds6

About 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide

5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 99595777) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID99595777
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCOCCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO2/c1-19-8-3-2-7-12(18)17-11-6-4-5-10(9-11)13(14,15)16/h10-11H,2-9H2,1H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyWMVJCCCSSFVQGM-WDEREUQCSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide (CID 99595777) is 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide is COCCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is WMVJCCCSSFVQGM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-19-8-3-2-7-12(18)17-11-6-4-5-10(9-11)13(14,15)16/h10-11H,2-9H2,1H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide?
5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 281.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 99595777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).