(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide

C13H28N2O2 — CID 167227163

IUPAC(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide
SMILESCN[C@@H](CCC(C)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C13H28N2O2/c1-10(17-13(2,3)4)8-9-11(14-5)12(16)15(6)7/h10-11,14H,8-9H2,1-7H3/t10?,11-/m0/s1
InChIKeyIESCZTXQZDWHNL-DTIOYNMSSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds6

About (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide

(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide (PubChem CID 167227163) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide
PubChem CID167227163
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide
SMILESCN[C@@H](CCC(C)OC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C13H28N2O2/c1-10(17-13(2,3)4)8-9-11(14-5)12(16)15(6)7/h10-11,14H,8-9H2,1-7H3/t10?,11-/m0/s1
InChIKeyIESCZTXQZDWHNL-DTIOYNMSSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide (CID 167227163) is (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide is CN[C@@H](CCC(C)OC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide?
The InChIKey is IESCZTXQZDWHNL-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(17-13(2,3)4)8-9-11(14-5)12(16)15(6)7/h10-11,14H,8-9H2,1-7H3/t10?,11-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide?
(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide has a molecular weight of 244.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide is sourced from PubChem (CID 167227163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).