(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide

C13H23F3N2O — CID 166554263

IUPAC(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCNC(=O)[C@@H](N)CCCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-18-12(19)11(17)4-2-3-9-5-7-10(8-6-9)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyWMVVLSINJSZEPH-ILDUYXDCSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds5

About (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide

(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 166554263) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID166554263
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCNC(=O)[C@@H](N)CCCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-18-12(19)11(17)4-2-3-9-5-7-10(8-6-9)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyWMVVLSINJSZEPH-ILDUYXDCSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide (CID 166554263) is (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide is CNC(=O)[C@@H](N)CCCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is WMVVLSINJSZEPH-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-18-12(19)11(17)4-2-3-9-5-7-10(8-6-9)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide?
(2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-5-[4-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 166554263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).