(2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid

C22H42N4O5 — CID 68973477

IUPAC(2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.NC(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C18H36O2.C4H6N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(10)6-1-2(9)8-4(11)7-1/h2-17H2,1H3,(H,19,20);1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyGLJYMTUBSKYCKW-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.15
Rot. Bonds17

About (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid

(2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid (PubChem CID 68973477) has the molecular formula C22H42N4O5 and a molecular weight of 442.60 g/mol. Its IUPAC name is (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid.

Molecular Properties

Compound Name(2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid
PubChem CID68973477
Molecular FormulaC22H42N4O5
Molecular Weight442.60 g/mol
Exact Mass442.32
IUPAC Name(2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.NC(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C18H36O2.C4H6N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(10)6-1-2(9)8-4(11)7-1/h2-17H2,1H3,(H,19,20);1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyGLJYMTUBSKYCKW-UHFFFAOYSA-N
XLogP4.15
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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 (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid?
The IUPAC name of (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid (CID 68973477) is (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid.
What is the SMILES notation for (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid?
The canonical SMILES for (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.NC(=O)NC1NC(=O)NC1=O.
What is the InChIKey of (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid?
The InChIKey is GLJYMTUBSKYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C4H6N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3(10)6-1-2(9)8-4(11)7-1/h2-17H2,1H3,(H,19,20);1H,(H3,5,6,10)(H2,7,8,9,11).
What are the key properties of (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid?
(2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid has a molecular weight of 442.60 g/mol, XLogP of 4.15, 17 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxoimidazolidin-4-yl)urea;octadecanoic acid is sourced from PubChem (CID 68973477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).