2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide

C13H26N2O4 — CID 103712425

IUPAC2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
SMILESCOCCC(C)(O)CNC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C13H26N2O4/c1-9(2)11(15-10(3)16)12(17)14-8-13(4,18)6-7-19-5/h9,11,18H,6-8H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyACIKHYKTXMLMTK-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.05
Rot. Bonds8

About 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide

2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide (PubChem CID 103712425) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
PubChem CID103712425
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
SMILESCOCCC(C)(O)CNC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C13H26N2O4/c1-9(2)11(15-10(3)16)12(17)14-8-13(4,18)6-7-19-5/h9,11,18H,6-8H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyACIKHYKTXMLMTK-UHFFFAOYSA-N
XLogP0.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide (CID 103712425) is 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide is COCCC(C)(O)CNC(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
The InChIKey is ACIKHYKTXMLMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-9(2)11(15-10(3)16)12(17)14-8-13(4,18)6-7-19-5/h9,11,18H,6-8H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide?
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide is sourced from PubChem (CID 103712425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).