acetic acid;N,N-diethylacetamide

C8H17NO3 — CID 174447974

IUPACacetic acid;N,N-diethylacetamide
SMILESCC(=O)O.CCN(CC)C(C)=O
InChIInChI=1S/C6H13NO.C2H4O2/c1-4-7(5-2)6(3)8;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyLWJDARGMZCKJKD-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.97
Rot. Bonds2

About acetic acid;N,N-diethylacetamide

acetic acid;N,N-diethylacetamide (PubChem CID 174447974) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is acetic acid;N,N-diethylacetamide.

Molecular Properties

Compound Nameacetic acid;N,N-diethylacetamide
PubChem CID174447974
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameacetic acid;N,N-diethylacetamide
SMILESCC(=O)O.CCN(CC)C(C)=O
InChIInChI=1S/C6H13NO.C2H4O2/c1-4-7(5-2)6(3)8;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyLWJDARGMZCKJKD-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
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N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
N-ethyl-N-(2-oxoethyl)acetamide
CID 23525604
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
N,N-diethyl-2,3-dimethylbut-2-enamide
CID 566252
N-ethyl-N-(2-methoxybutyl)acetamide
CID 145441257
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
sodium;diethylcarbamic acid;hydride
CID 174452447
N-(4-bromo-2-methyl-3-oxobutyl)-N-ethylacetamide
CID 104701258
N,N-diethylacetamide;N,N-dimethylbutanamide;N,N-dimethylpropanamide
CID 157213260

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-diethylacetamide?
The IUPAC name of acetic acid;N,N-diethylacetamide (CID 174447974) is acetic acid;N,N-diethylacetamide.
What is the SMILES notation for acetic acid;N,N-diethylacetamide?
The canonical SMILES for acetic acid;N,N-diethylacetamide is CC(=O)O.CCN(CC)C(C)=O.
What is the InChIKey of acetic acid;N,N-diethylacetamide?
The InChIKey is LWJDARGMZCKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H4O2/c1-4-7(5-2)6(3)8;1-2(3)4/h4-5H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;N,N-diethylacetamide?
acetic acid;N,N-diethylacetamide has a molecular weight of 175.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-diethylacetamide is sourced from PubChem (CID 174447974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).