2-(2-hydroxyethoxy)-N,N-dimethylacetamide

C6H13NO3 — CID 16752596

IUPAC2-(2-hydroxyethoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCCO
InChIInChI=1S/C6H13NO3/c1-7(2)6(9)5-10-4-3-8/h8H,3-5H2,1-2H3
InChIKeyYOBRVXBSYUDFPB-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.92
Rot. Bonds4

About 2-(2-hydroxyethoxy)-N,N-dimethylacetamide

2-(2-hydroxyethoxy)-N,N-dimethylacetamide (PubChem CID 16752596) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-N,N-dimethylacetamide
PubChem CID16752596
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(2-hydroxyethoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCCO
InChIInChI=1S/C6H13NO3/c1-7(2)6(9)5-10-4-3-8/h8H,3-5H2,1-2H3
InChIKeyYOBRVXBSYUDFPB-UHFFFAOYSA-N
XLogP-0.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
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-(2-hydroxyethoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-hydroxyethoxy)-N,N-dimethylacetamide (CID 16752596) is 2-(2-hydroxyethoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-hydroxyethoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-hydroxyethoxy)-N,N-dimethylacetamide is CN(C)C(=O)COCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-N,N-dimethylacetamide?
The InChIKey is YOBRVXBSYUDFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7(2)6(9)5-10-4-3-8/h8H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)-N,N-dimethylacetamide?
2-(2-hydroxyethoxy)-N,N-dimethylacetamide has a molecular weight of 147.17 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 16752596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).