4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide

C11H22N2O4 — CID 134244103

IUPAC4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide
SMILESCOCCN(C)C(=O)CC(CNC(C)=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(14)12-8-10(17-4)7-11(15)13(2)5-6-16-3/h10H,5-8H2,1-4H3,(H,12,14)
InChIKeyPTSXEJLMYHHYTM-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.37
Rot. Bonds8

About 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide

4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide (PubChem CID 134244103) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide
PubChem CID134244103
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide
SMILESCOCCN(C)C(=O)CC(CNC(C)=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(14)12-8-10(17-4)7-11(15)13(2)5-6-16-3/h10H,5-8H2,1-4H3,(H,12,14)
InChIKeyPTSXEJLMYHHYTM-UHFFFAOYSA-N
XLogP-0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide?
The IUPAC name of 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide (CID 134244103) is 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide.
What is the SMILES notation for 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide?
The canonical SMILES for 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide is COCCN(C)C(=O)CC(CNC(C)=O)OC.
What is the InChIKey of 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide?
The InChIKey is PTSXEJLMYHHYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(14)12-8-10(17-4)7-11(15)13(2)5-6-16-3/h10H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide?
4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide has a molecular weight of 246.31 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-methoxy-N-(2-methoxyethyl)-N-methylbutanamide is sourced from PubChem (CID 134244103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).