(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide

C14H28N2O2 — CID 59917883

IUPAC(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide
SMILESCC(CO)CCN(C)C(=O)[C@@H](N)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(10-17)8-9-16(2)14(18)13(15)12-6-4-3-5-7-12/h11-13,17H,3-10,15H2,1-2H3/t11?,13-/m0/s1
InChIKeyKKXQZFDHXAFNKV-YUZLPWPTSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds6

About (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide

(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide (PubChem CID 59917883) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide
PubChem CID59917883
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide
SMILESCC(CO)CCN(C)C(=O)[C@@H](N)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(10-17)8-9-16(2)14(18)13(15)12-6-4-3-5-7-12/h11-13,17H,3-10,15H2,1-2H3/t11?,13-/m0/s1
InChIKeyKKXQZFDHXAFNKV-YUZLPWPTSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide (CID 59917883) is (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide is CC(CO)CCN(C)C(=O)[C@@H](N)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide?
The InChIKey is KKXQZFDHXAFNKV-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(10-17)8-9-16(2)14(18)13(15)12-6-4-3-5-7-12/h11-13,17H,3-10,15H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide?
(2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-(4-hydroxy-3-methylbutyl)-N-methylacetamide is sourced from PubChem (CID 59917883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).