2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide

C7H15NO3 — CID 163668609

IUPAC2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCC(O)N(C)C(=O)C(C)(C)O
InChIInChI=1S/C7H15NO3/c1-5(9)8(4)6(10)7(2,3)11/h5,9,11H,1-4H3
InChIKeyJAOVFLZAACOIMC-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.45
Rot. Bonds2

About 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide

2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide (PubChem CID 163668609) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide
PubChem CID163668609
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCC(O)N(C)C(=O)C(C)(C)O
InChIInChI=1S/C7H15NO3/c1-5(9)8(4)6(10)7(2,3)11/h5,9,11H,1-4H3
InChIKeyJAOVFLZAACOIMC-UHFFFAOYSA-N
XLogP-0.45
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide (CID 163668609) is 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide is CC(O)N(C)C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide?
The InChIKey is JAOVFLZAACOIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)8(4)6(10)7(2,3)11/h5,9,11H,1-4H3.
What are the key properties of 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide?
2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide has a molecular weight of 161.20 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-hydroxyethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 163668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).