N,N-diethylacetamide

C6H13NO — CID 12703

IUPACN,N-diethylacetamide
SMILESCCN(CC)C(C)=O
InChIInChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
InChIKeyAJFDBNQQDYLMJN-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.87
Rot. Bonds2

About N,N-diethylacetamide

N,N-diethylacetamide (PubChem CID 12703) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N,N-diethylacetamide.

Molecular Properties

Compound NameN,N-diethylacetamide
PubChem CID12703
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN,N-diethylacetamide
SMILESCCN(CC)C(C)=O
InChIInChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
InChIKeyAJFDBNQQDYLMJN-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylacetamide?
The IUPAC name of N,N-diethylacetamide (CID 12703) is N,N-diethylacetamide.
What is the SMILES notation for N,N-diethylacetamide?
The canonical SMILES for N,N-diethylacetamide is CCN(CC)C(C)=O.
What is the InChIKey of N,N-diethylacetamide?
The InChIKey is AJFDBNQQDYLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3.
What are the key properties of N,N-diethylacetamide?
N,N-diethylacetamide has a molecular weight of 115.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylacetamide is sourced from PubChem (CID 12703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).