N-[2-(2-oxobutoxy)ethyl]but-3-enamide

C10H17NO3 — CID 123215100

IUPACN-[2-(2-oxobutoxy)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCOCC(=O)CC
InChIInChI=1S/C10H17NO3/c1-3-5-10(13)11-6-7-14-8-9(12)4-2/h3H,1,4-8H2,2H3,(H,11,13)
InChIKeyFWIWSJXHSSICEF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.67
Rot. Bonds8

About N-[2-(2-oxobutoxy)ethyl]but-3-enamide

N-[2-(2-oxobutoxy)ethyl]but-3-enamide (PubChem CID 123215100) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-(2-oxobutoxy)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(2-oxobutoxy)ethyl]but-3-enamide
PubChem CID123215100
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[2-(2-oxobutoxy)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCOCC(=O)CC
InChIInChI=1S/C10H17NO3/c1-3-5-10(13)11-6-7-14-8-9(12)4-2/h3H,1,4-8H2,2H3,(H,11,13)
InChIKeyFWIWSJXHSSICEF-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-oxobutoxy)ethyl]but-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxobutoxy)ethyl]but-3-enamide?
The IUPAC name of N-[2-(2-oxobutoxy)ethyl]but-3-enamide (CID 123215100) is N-[2-(2-oxobutoxy)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(2-oxobutoxy)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(2-oxobutoxy)ethyl]but-3-enamide is C=CCC(=O)NCCOCC(=O)CC.
What is the InChIKey of N-[2-(2-oxobutoxy)ethyl]but-3-enamide?
The InChIKey is FWIWSJXHSSICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-10(13)11-6-7-14-8-9(12)4-2/h3H,1,4-8H2,2H3,(H,11,13).
What are the key properties of N-[2-(2-oxobutoxy)ethyl]but-3-enamide?
N-[2-(2-oxobutoxy)ethyl]but-3-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxobutoxy)ethyl]but-3-enamide is sourced from PubChem (CID 123215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).