N,N-dimethylacetamide;ethane-1,2-diol

C6H15NO3 — CID 19046924

IUPACN,N-dimethylacetamide;ethane-1,2-diol
SMILESCC(=O)N(C)C.OCCO
InChIInChI=1S/C4H9NO.C2H6O2/c1-4(6)5(2)3;3-1-2-4/h1-3H3;3-4H,1-2H2
InChIKeyOMSSPIJADYVUAT-UHFFFAOYSA-N
MW149.19 g/mol
LogP-0.93
Rot. Bonds1

About N,N-dimethylacetamide;ethane-1,2-diol

N,N-dimethylacetamide;ethane-1,2-diol (PubChem CID 19046924) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is N,N-dimethylacetamide;ethane-1,2-diol.

Molecular Properties

Compound NameN,N-dimethylacetamide;ethane-1,2-diol
PubChem CID19046924
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC NameN,N-dimethylacetamide;ethane-1,2-diol
SMILESCC(=O)N(C)C.OCCO
InChIInChI=1S/C4H9NO.C2H6O2/c1-4(6)5(2)3;3-1-2-4/h1-3H3;3-4H,1-2H2
InChIKeyOMSSPIJADYVUAT-UHFFFAOYSA-N
XLogP-0.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;ethane-1,2-diol?
The IUPAC name of N,N-dimethylacetamide;ethane-1,2-diol (CID 19046924) is N,N-dimethylacetamide;ethane-1,2-diol.
What is the SMILES notation for N,N-dimethylacetamide;ethane-1,2-diol?
The canonical SMILES for N,N-dimethylacetamide;ethane-1,2-diol is CC(=O)N(C)C.OCCO.
What is the InChIKey of N,N-dimethylacetamide;ethane-1,2-diol?
The InChIKey is OMSSPIJADYVUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6O2/c1-4(6)5(2)3;3-1-2-4/h1-3H3;3-4H,1-2H2.
What are the key properties of N,N-dimethylacetamide;ethane-1,2-diol?
N,N-dimethylacetamide;ethane-1,2-diol has a molecular weight of 149.19 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;ethane-1,2-diol is sourced from PubChem (CID 19046924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).