2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide

C13H26N2O4 — CID 89138246

IUPAC2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCN(CCOC)C(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C13H26N2O4/c1-10(2)12(14-11(3)16)13(17)15(6-8-18-4)7-9-19-5/h10,12H,6-9H2,1-5H3,(H,14,16)
InChIKeyAZXHXOCZDDOOBK-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.27
Rot. Bonds9

About 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide

2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide (PubChem CID 89138246) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide
PubChem CID89138246
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCN(CCOC)C(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C13H26N2O4/c1-10(2)12(14-11(3)16)13(17)15(6-8-18-4)7-9-19-5/h10,12H,6-9H2,1-5H3,(H,14,16)
InChIKeyAZXHXOCZDDOOBK-UHFFFAOYSA-N
XLogP0.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide (CID 89138246) is 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide is COCCN(CCOC)C(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
The InChIKey is AZXHXOCZDDOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(2)12(14-11(3)16)13(17)15(6-8-18-4)7-9-19-5/h10,12H,6-9H2,1-5H3,(H,14,16).
What are the key properties of 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 0.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,N-bis(2-methoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 89138246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).