N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C15H28N4O6 — CID 70000108

IUPACN-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(CCCOCCOCCOCCCN)NC(=O)NC1=O
InChIInChI=1S/C15H28N4O6/c1-12(20)18-15(13(21)17-14(22)19-15)4-2-6-23-8-10-25-11-9-24-7-3-5-16/h2-11,16H2,1H3,(H,18,20)(H2,17,19,21,22)
InChIKeyULUFXWDSAMDFNC-UHFFFAOYSA-N
MW360.41 g/mol
LogP-1.16
Rot. Bonds14

About N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 70000108) has the molecular formula C15H28N4O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID70000108
Molecular FormulaC15H28N4O6
Molecular Weight360.41 g/mol
Exact Mass360.20
IUPAC NameN-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(CCCOCCOCCOCCCN)NC(=O)NC1=O
InChIInChI=1S/C15H28N4O6/c1-12(20)18-15(13(21)17-14(22)19-15)4-2-6-23-8-10-25-11-9-24-7-3-5-16/h2-11,16H2,1H3,(H,18,20)(H2,17,19,21,22)
InChIKeyULUFXWDSAMDFNC-UHFFFAOYSA-N
XLogP-1.16
TPSA141.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 70000108) is N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CC(=O)NC1(CCCOCCOCCOCCCN)NC(=O)NC1=O.
What is the InChIKey of N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is ULUFXWDSAMDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O6/c1-12(20)18-15(13(21)17-14(22)19-15)4-2-6-23-8-10-25-11-9-24-7-3-5-16/h2-11,16H2,1H3,(H,18,20)(H2,17,19,21,22).
What are the key properties of N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 360.41 g/mol, XLogP of -1.16, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 70000108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).