2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide

C6H13NO3 — CID 21330073

IUPAC2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCCO
InChIInChI=1S/C6H13NO3/c1-6(2,10)5(9)7-3-4-8/h8,10H,3-4H2,1-2H3,(H,7,9)
InChIKeyVVAGCZGPBUILTR-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.13
Rot. Bonds3

About 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide

2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 21330073) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID21330073
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCCO
InChIInChI=1S/C6H13NO3/c1-6(2,10)5(9)7-3-4-8/h8,10H,3-4H2,1-2H3,(H,7,9)
InChIKeyVVAGCZGPBUILTR-UHFFFAOYSA-N
XLogP-1.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide (CID 21330073) is 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide is CC(C)(O)C(=O)NCCO.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is VVAGCZGPBUILTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2,10)5(9)7-3-4-8/h8,10H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 147.17 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 21330073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).