N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide

C15H25NO4 — CID 58402360

IUPACN-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCCCOCCOCCCNC(=O)C=C
InChIInChI=1S/C15H25NO4/c1-3-14(17)8-5-6-10-19-12-13-20-11-7-9-16-15(18)4-2/h3-4H,1-2,5-13H2,(H,16,18)
InChIKeyYJIQWQDCMBDLGI-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.64
Rot. Bonds14

About N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide

N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide (PubChem CID 58402360) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide
PubChem CID58402360
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC NameN-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCCCOCCOCCCNC(=O)C=C
InChIInChI=1S/C15H25NO4/c1-3-14(17)8-5-6-10-19-12-13-20-11-7-9-16-15(18)4-2/h3-4H,1-2,5-13H2,(H,16,18)
InChIKeyYJIQWQDCMBDLGI-UHFFFAOYSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide?
The IUPAC name of N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide (CID 58402360) is N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide is C=CC(=O)CCCCOCCOCCCNC(=O)C=C.
What is the InChIKey of N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide?
The InChIKey is YJIQWQDCMBDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-14(17)8-5-6-10-19-12-13-20-11-7-9-16-15(18)4-2/h3-4H,1-2,5-13H2,(H,16,18).
What are the key properties of N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide?
N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 1.64, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 58402360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).