(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide

C15H30N2O2 — CID 59917886

IUPAC(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide
SMILESCN[C@H](C(=O)N(C)CCC(C)CO)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(11-18)9-10-17(3)15(19)14(16-2)13-7-5-4-6-8-13/h12-14,16,18H,4-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyIKZDNKPNHQUPHG-PYMCNQPYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds7

About (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide

(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide (PubChem CID 59917886) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide
PubChem CID59917886
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide
SMILESCN[C@H](C(=O)N(C)CCC(C)CO)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(11-18)9-10-17(3)15(19)14(16-2)13-7-5-4-6-8-13/h12-14,16,18H,4-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyIKZDNKPNHQUPHG-PYMCNQPYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide?
The IUPAC name of (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide (CID 59917886) is (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide is CN[C@H](C(=O)N(C)CCC(C)CO)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide?
The InChIKey is IKZDNKPNHQUPHG-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(11-18)9-10-17(3)15(19)14(16-2)13-7-5-4-6-8-13/h12-14,16,18H,4-11H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide?
(2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 59917886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).