butanoate;N-methylacetamide

C7H14NO3- — CID 23457257

IUPACbutanoate;N-methylacetamide
SMILESCCCC(=O)[O-].CNC(C)=O
InChIInChI=1S/C4H8O2.C3H7NO/c1-2-3-4(5)6;1-3(5)4-2/h2-3H2,1H3,(H,5,6);1-2H3,(H,4,5)/p-1
InChIKeyGWJABLSRDLFHFT-UHFFFAOYSA-M
MW160.19 g/mol
LogP-0.71
Rot. Bonds2

About butanoate;N-methylacetamide

butanoate;N-methylacetamide (PubChem CID 23457257) has the molecular formula C7H14NO3- and a molecular weight of 160.19 g/mol. Its IUPAC name is butanoate;N-methylacetamide.

Molecular Properties

Compound Namebutanoate;N-methylacetamide
PubChem CID23457257
Molecular FormulaC7H14NO3-
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Namebutanoate;N-methylacetamide
SMILESCCCC(=O)[O-].CNC(C)=O
InChIInChI=1S/C4H8O2.C3H7NO/c1-2-3-4(5)6;1-3(5)4-2/h2-3H2,1H3,(H,5,6);1-2H3,(H,4,5)/p-1
InChIKeyGWJABLSRDLFHFT-UHFFFAOYSA-M
XLogP-0.71
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butanoate;titanium(4+);acetate
CID 159866524
butanoate;titanium(2+);acetate
CID 87845450
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;tin(4+)
CID 159447903
butanoate;ytterbium(2+)
CID 88777454
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
disodium;butanoate;hydroxide
CID 173219323
butanoate;silicon(4+);titanium(4+)
CID 158800899

Frequently Asked Questions

What is the IUPAC name of butanoate;N-methylacetamide?
The IUPAC name of butanoate;N-methylacetamide (CID 23457257) is butanoate;N-methylacetamide.
What is the SMILES notation for butanoate;N-methylacetamide?
The canonical SMILES for butanoate;N-methylacetamide is CCCC(=O)[O-].CNC(C)=O.
What is the InChIKey of butanoate;N-methylacetamide?
The InChIKey is GWJABLSRDLFHFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.C3H7NO/c1-2-3-4(5)6;1-3(5)4-2/h2-3H2,1H3,(H,5,6);1-2H3,(H,4,5)/p-1.
What are the key properties of butanoate;N-methylacetamide?
butanoate;N-methylacetamide has a molecular weight of 160.19 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;N-methylacetamide is sourced from PubChem (CID 23457257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).