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

C10H20N2O3 — CID 78782683

IUPAC2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCNC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)9(12-8(3)13)10(14)11-5-6-15-4/h7,9H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyHNTCXKFAVIWKMV-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.09
Rot. Bonds6

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

2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide (PubChem CID 78782683) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide
PubChem CID78782683
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCNC(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)9(12-8(3)13)10(14)11-5-6-15-4/h7,9H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyHNTCXKFAVIWKMV-UHFFFAOYSA-N
XLogP-0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide (CID 78782683) is 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide is COCCNC(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide?
The InChIKey is HNTCXKFAVIWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)9(12-8(3)13)10(14)11-5-6-15-4/h7,9H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide?
2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 78782683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).