ethane;N-ethyl-N-(4-oxobutyl)acetamide

C10H21NO2 — CID 143387897

IUPACethane;N-ethyl-N-(4-oxobutyl)acetamide
SMILESCC.CCN(CCCC=O)C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-3-9(8(2)11)6-4-5-7-10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyKMWSQUXPMFJRLM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.86
Rot. Bonds5

About ethane;N-ethyl-N-(4-oxobutyl)acetamide

ethane;N-ethyl-N-(4-oxobutyl)acetamide (PubChem CID 143387897) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;N-ethyl-N-(4-oxobutyl)acetamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-(4-oxobutyl)acetamide
PubChem CID143387897
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;N-ethyl-N-(4-oxobutyl)acetamide
SMILESCC.CCN(CCCC=O)C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-3-9(8(2)11)6-4-5-7-10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyKMWSQUXPMFJRLM-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-(4-oxobutyl)acetamide?
The IUPAC name of ethane;N-ethyl-N-(4-oxobutyl)acetamide (CID 143387897) is ethane;N-ethyl-N-(4-oxobutyl)acetamide.
What is the SMILES notation for ethane;N-ethyl-N-(4-oxobutyl)acetamide?
The canonical SMILES for ethane;N-ethyl-N-(4-oxobutyl)acetamide is CC.CCN(CCCC=O)C(C)=O.
What is the InChIKey of ethane;N-ethyl-N-(4-oxobutyl)acetamide?
The InChIKey is KMWSQUXPMFJRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-3-9(8(2)11)6-4-5-7-10;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-(4-oxobutyl)acetamide?
ethane;N-ethyl-N-(4-oxobutyl)acetamide has a molecular weight of 187.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-(4-oxobutyl)acetamide is sourced from PubChem (CID 143387897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).