(Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide

C15H24N2O6 — CID 126698973

IUPAC(Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide
SMILESCN(CCC(=O)NCCOCCOCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C15H24N2O6/c1-17(15(21)4-2-8-18)7-5-14(20)16-6-11-23-13-12-22-10-3-9-19/h2,4,8-9H,3,5-7,10-13H2,1H3,(H,16,20)/b4-2-
InChIKeyWUUVDTRECDZSLP-RQOWECAXSA-N
MW328.37 g/mol
LogP-0.67
Rot. Bonds14

About (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide

(Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide (PubChem CID 126698973) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide
PubChem CID126698973
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name(Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide
SMILESCN(CCC(=O)NCCOCCOCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C15H24N2O6/c1-17(15(21)4-2-8-18)7-5-14(20)16-6-11-23-13-12-22-10-3-9-19/h2,4,8-9H,3,5-7,10-13H2,1H3,(H,16,20)/b4-2-
InChIKeyWUUVDTRECDZSLP-RQOWECAXSA-N
XLogP-0.67
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-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 (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide?
The IUPAC name of (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide (CID 126698973) is (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide.
What is the SMILES notation for (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide?
The canonical SMILES for (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide is CN(CCC(=O)NCCOCCOCCC=O)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide?
The InChIKey is WUUVDTRECDZSLP-RQOWECAXSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-17(15(21)4-2-8-18)7-5-14(20)16-6-11-23-13-12-22-10-3-9-19/h2,4,8-9H,3,5-7,10-13H2,1H3,(H,16,20)/b4-2-.
What are the key properties of (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide?
(Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide has a molecular weight of 328.37 g/mol, XLogP of -0.67, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-oxo-N-[3-oxo-3-[2-[2-(3-oxopropoxy)ethoxy]ethylamino]propyl]but-2-enamide is sourced from PubChem (CID 126698973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).