N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide

C16H28N2O4 — CID 58402343

IUPACN-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide
SMILESC=CN(CCCOCCOCCCN(C=C)C(C)=O)C(C)=O
InChIInChI=1S/C16H28N2O4/c1-5-17(15(3)19)9-7-11-21-13-14-22-12-8-10-18(6-2)16(4)20/h5-6H,1-2,7-14H2,3-4H3
InChIKeyIDXISIYARPQOPD-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.78
Rot. Bonds13

About N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide

N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide (PubChem CID 58402343) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide.

Molecular Properties

Compound NameN-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide
PubChem CID58402343
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide
SMILESC=CN(CCCOCCOCCCN(C=C)C(C)=O)C(C)=O
InChIInChI=1S/C16H28N2O4/c1-5-17(15(3)19)9-7-11-21-13-14-22-12-8-10-18(6-2)16(4)20/h5-6H,1-2,7-14H2,3-4H3
InChIKeyIDXISIYARPQOPD-UHFFFAOYSA-N
XLogP1.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide?
The IUPAC name of N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide (CID 58402343) is N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide.
What is the SMILES notation for N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide?
The canonical SMILES for N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide is C=CN(CCCOCCOCCCN(C=C)C(C)=O)C(C)=O.
What is the InChIKey of N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide?
The InChIKey is IDXISIYARPQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-5-17(15(3)19)9-7-11-21-13-14-22-12-8-10-18(6-2)16(4)20/h5-6H,1-2,7-14H2,3-4H3.
What are the key properties of N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide?
N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide has a molecular weight of 312.41 g/mol, XLogP of 1.78, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-[acetyl(ethenyl)amino]propoxy]ethoxy]propyl]-N-ethenylacetamide is sourced from PubChem (CID 58402343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).