N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide

C8H18N2O4 — CID 162255629

IUPACN-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
SMILESCC(=O)NC(C)O.CNC(=O)C(C)O
InChIInChI=1S/2C4H9NO2/c1-3(6)4(7)5-2;1-3(6)5-4(2)7/h2*3,6H,1-2H3,(H,5,7)
InChIKeyZYOCMSTUPFHKJQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.43
Rot. Bonds2

About N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide

N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide (PubChem CID 162255629) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
PubChem CID162255629
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC NameN-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
SMILESCC(=O)NC(C)O.CNC(=O)C(C)O
InChIInChI=1S/2C4H9NO2/c1-3(6)4(7)5-2;1-3(6)5-4(2)7/h2*3,6H,1-2H3,(H,5,7)
InChIKeyZYOCMSTUPFHKJQ-UHFFFAOYSA-N
XLogP-1.43
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.43
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 N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide?
The IUPAC name of N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide (CID 162255629) is N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide is CC(=O)NC(C)O.CNC(=O)C(C)O.
What is the InChIKey of N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide?
The InChIKey is ZYOCMSTUPFHKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO2/c1-3(6)4(7)5-2;1-3(6)5-4(2)7/h2*3,6H,1-2H3,(H,5,7).
What are the key properties of N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide?
N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide has a molecular weight of 206.24 g/mol, XLogP of -1.43, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 162255629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).