N-acetyl-N-(3-oxobutyl)acetamide

C8H13NO3 — CID 13408782

IUPACN-acetyl-N-(3-oxobutyl)acetamide
SMILESCC(=O)CCN(C(C)=O)C(C)=O
InChIInChI=1S/C8H13NO3/c1-6(10)4-5-9(7(2)11)8(3)12/h4-5H2,1-3H3
InChIKeyWQVJOBJQQFDTRA-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.36
Rot. Bonds3

About N-acetyl-N-(3-oxobutyl)acetamide

N-acetyl-N-(3-oxobutyl)acetamide (PubChem CID 13408782) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-acetyl-N-(3-oxobutyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(3-oxobutyl)acetamide
PubChem CID13408782
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-acetyl-N-(3-oxobutyl)acetamide
SMILESCC(=O)CCN(C(C)=O)C(C)=O
InChIInChI=1S/C8H13NO3/c1-6(10)4-5-9(7(2)11)8(3)12/h4-5H2,1-3H3
InChIKeyWQVJOBJQQFDTRA-UHFFFAOYSA-N
XLogP0.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3-oxobutyl)acetamide?
The IUPAC name of N-acetyl-N-(3-oxobutyl)acetamide (CID 13408782) is N-acetyl-N-(3-oxobutyl)acetamide.
What is the SMILES notation for N-acetyl-N-(3-oxobutyl)acetamide?
The canonical SMILES for N-acetyl-N-(3-oxobutyl)acetamide is CC(=O)CCN(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-(3-oxobutyl)acetamide?
The InChIKey is WQVJOBJQQFDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)4-5-9(7(2)11)8(3)12/h4-5H2,1-3H3.
What are the key properties of N-acetyl-N-(3-oxobutyl)acetamide?
N-acetyl-N-(3-oxobutyl)acetamide has a molecular weight of 171.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(3-oxobutyl)acetamide is sourced from PubChem (CID 13408782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).