N,N-diethylformamide;N-methylacetamide

C8H18N2O2 — CID 88516176

IUPACN,N-diethylformamide;N-methylacetamide
SMILESCCN(C=O)CC.CNC(C)=O
InChIInChI=1S/C5H11NO.C3H7NO/c1-3-6(4-2)5-7;1-3(5)4-2/h5H,3-4H2,1-2H3;1-2H3,(H,4,5)
InChIKeyRHOKORAHIONNQK-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.24
Rot. Bonds3

About N,N-diethylformamide;N-methylacetamide

N,N-diethylformamide;N-methylacetamide (PubChem CID 88516176) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N,N-diethylformamide;N-methylacetamide.

Molecular Properties

Compound NameN,N-diethylformamide;N-methylacetamide
PubChem CID88516176
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN,N-diethylformamide;N-methylacetamide
SMILESCCN(C=O)CC.CNC(C)=O
InChIInChI=1S/C5H11NO.C3H7NO/c1-3-6(4-2)5-7;1-3(5)4-2/h5H,3-4H2,1-2H3;1-2H3,(H,4,5)
InChIKeyRHOKORAHIONNQK-UHFFFAOYSA-N
XLogP0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylformamide;N-methylacetamide?
The IUPAC name of N,N-diethylformamide;N-methylacetamide (CID 88516176) is N,N-diethylformamide;N-methylacetamide.
What is the SMILES notation for N,N-diethylformamide;N-methylacetamide?
The canonical SMILES for N,N-diethylformamide;N-methylacetamide is CCN(C=O)CC.CNC(C)=O.
What is the InChIKey of N,N-diethylformamide;N-methylacetamide?
The InChIKey is RHOKORAHIONNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H7NO/c1-3-6(4-2)5-7;1-3(5)4-2/h5H,3-4H2,1-2H3;1-2H3,(H,4,5).
What are the key properties of N,N-diethylformamide;N-methylacetamide?
N,N-diethylformamide;N-methylacetamide has a molecular weight of 174.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylformamide;N-methylacetamide is sourced from PubChem (CID 88516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).