2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide

C11H22N2O4 — CID 103712268

IUPAC2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
SMILESCOCCC(C)(O)CNC(=O)C(C)NC(C)=O
InChIInChI=1S/C11H22N2O4/c1-8(13-9(2)14)10(15)12-7-11(3,16)5-6-17-4/h8,16H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeySJYJXYUWNTXUDW-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.59
Rot. Bonds7

About 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide

2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide (PubChem CID 103712268) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
PubChem CID103712268
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
SMILESCOCCC(C)(O)CNC(=O)C(C)NC(C)=O
InChIInChI=1S/C11H22N2O4/c1-8(13-9(2)14)10(15)12-7-11(3,16)5-6-17-4/h8,16H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeySJYJXYUWNTXUDW-UHFFFAOYSA-N
XLogP-0.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.59
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)propanamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide (CID 103712268) is 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide is COCCC(C)(O)CNC(=O)C(C)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The InChIKey is SJYJXYUWNTXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(13-9(2)14)10(15)12-7-11(3,16)5-6-17-4/h8,16H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide has a molecular weight of 246.31 g/mol, XLogP of -0.59, 7 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)propanamide is sourced from PubChem (CID 103712268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).