N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide

C17H30N2O7 — CID 142338765

IUPACN-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide
SMILESC=CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C17H30N2O7/c1-3-4-16(21)18-5-7-23-10-12-26-14-17(22)19-6-8-24-9-11-25-13-15(2)20/h3H,1,4-14H2,2H3,(H,18,21)(H,19,22)
InChIKeyNWRGLHRZHPYOEK-UHFFFAOYSA-N
MW374.43 g/mol
LogP-0.55
Rot. Bonds18

About N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide

N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide (PubChem CID 142338765) has the molecular formula C17H30N2O7 and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide
PubChem CID142338765
Molecular FormulaC17H30N2O7
Molecular Weight374.43 g/mol
Exact Mass374.21
IUPAC NameN-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide
SMILESC=CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C17H30N2O7/c1-3-4-16(21)18-5-7-23-10-12-26-14-17(22)19-6-8-24-9-11-25-13-15(2)20/h3H,1,4-14H2,2H3,(H,18,21)(H,19,22)
InChIKeyNWRGLHRZHPYOEK-UHFFFAOYSA-N
XLogP-0.55
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
The IUPAC name of N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide (CID 142338765) is N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide.
What is the SMILES notation for N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
The canonical SMILES for N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide is C=CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(C)=O.
What is the InChIKey of N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
The InChIKey is NWRGLHRZHPYOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O7/c1-3-4-16(21)18-5-7-23-10-12-26-14-17(22)19-6-8-24-9-11-25-13-15(2)20/h3H,1,4-14H2,2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide?
N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide has a molecular weight of 374.43 g/mol, XLogP of -0.55, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]but-3-enamide is sourced from PubChem (CID 142338765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).