3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide

C10H20N2O4 — CID 57139592

IUPAC3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
SMILESCC(=O)NC(C)(O)C(C)(C)C(=O)NCCO
InChIInChI=1S/C10H20N2O4/c1-7(14)12-10(4,16)9(2,3)8(15)11-5-6-13/h13,16H,5-6H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyBMULUOFZXZNWGD-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.03
Rot. Bonds5

About 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide

3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide (PubChem CID 57139592) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
PubChem CID57139592
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
SMILESCC(=O)NC(C)(O)C(C)(C)C(=O)NCCO
InChIInChI=1S/C10H20N2O4/c1-7(14)12-10(4,16)9(2,3)8(15)11-5-6-13/h13,16H,5-6H2,1-4H3,(H,11,15)(H,12,14)
InChIKeyBMULUOFZXZNWGD-UHFFFAOYSA-N
XLogP-1.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
The IUPAC name of 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide (CID 57139592) is 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
The canonical SMILES for 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide is CC(=O)NC(C)(O)C(C)(C)C(=O)NCCO.
What is the InChIKey of 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
The InChIKey is BMULUOFZXZNWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(14)12-10(4,16)9(2,3)8(15)11-5-6-13/h13,16H,5-6H2,1-4H3,(H,11,15)(H,12,14).
What are the key properties of 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide?
3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide has a molecular weight of 232.28 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-hydroxy-N-(2-hydroxyethyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 57139592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).