(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide

C13H26N2O2 — CID 164605023

IUPAC(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCCC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(12(14)13(16)15-2)17-9-8-11-6-4-3-5-7-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyFGZQMOCDNCJPKE-PWSUYJOCSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide

(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide (PubChem CID 164605023) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide
PubChem CID164605023
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCCC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(12(14)13(16)15-2)17-9-8-11-6-4-3-5-7-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyFGZQMOCDNCJPKE-PWSUYJOCSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide (CID 164605023) is (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide is CNC(=O)[C@@H](N)[C@@H](C)OCCC1CCCCC1.
What is the InChIKey of (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide?
The InChIKey is FGZQMOCDNCJPKE-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(12(14)13(16)15-2)17-9-8-11-6-4-3-5-7-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide?
(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide is sourced from PubChem (CID 164605023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).