imidazolidine-2,4-dione;octadecanoic acid

C21H40N2O4 — CID 66931522

IUPACimidazolidine-2,4-dione;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C18H36O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-2-1-4-3(7)5-2/h2-17H2,1H3,(H,19,20);1H2,(H2,4,5,6,7)
InChIKeyHWLFYOMFUTXMIT-UHFFFAOYSA-N
MW384.56 g/mol
LogP5.16
Rot. Bonds16

About imidazolidine-2,4-dione;octadecanoic acid

imidazolidine-2,4-dione;octadecanoic acid (PubChem CID 66931522) has the molecular formula C21H40N2O4 and a molecular weight of 384.56 g/mol. Its IUPAC name is imidazolidine-2,4-dione;octadecanoic acid.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;octadecanoic acid
PubChem CID66931522
Molecular FormulaC21H40N2O4
Molecular Weight384.56 g/mol
Exact Mass384.30
IUPAC Nameimidazolidine-2,4-dione;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C18H36O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-2-1-4-3(7)5-2/h2-17H2,1H3,(H,19,20);1H2,(H2,4,5,6,7)
InChIKeyHWLFYOMFUTXMIT-UHFFFAOYSA-N
XLogP5.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-Carboxy-nonylamino)-propionyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 13456366
3-[2-(1-Carboxy-nonylamino)-butyryl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 13456399
(4S)-3-[(2R)-2-[[(1S)-1-carboxynonyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 13456368
6-Carboxyhexyl-5-octylhydantoin
CID 12788656
7-(3-Octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid
CID 12788635
(4S)-3-[(2R)-2-[[(1S)-1-carboxynonyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid;hydrochloride
CID 13456367
(4S)-3-[(2R)-2-[[(1S)-1-carboxynonyl]amino]butanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 13456400
7-[3-Methyl-2,5-dioxo-3-(3-oxooctyl)imidazolidin-3-ium-4-yl]heptanoic acid
CID 20436871
imidazolidine-2,4-dione;(Z)-octadec-9-enoic acid
CID 66931517
Imidazolidine-2,4-dione;octadec-9-enoic acid
CID 66931518
(2,5-Dioxoimidazolidin-4-yl)urea;octadecanoic acid
CID 68973477
2-Aminohexanoic acid;imidazolidine-2,4-dione
CID 69644868

Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;octadecanoic acid?
The IUPAC name of imidazolidine-2,4-dione;octadecanoic acid (CID 66931522) is imidazolidine-2,4-dione;octadecanoic acid.
What is the SMILES notation for imidazolidine-2,4-dione;octadecanoic acid?
The canonical SMILES for imidazolidine-2,4-dione;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;octadecanoic acid?
The InChIKey is HWLFYOMFUTXMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-2-1-4-3(7)5-2/h2-17H2,1H3,(H,19,20);1H2,(H2,4,5,6,7).
What are the key properties of imidazolidine-2,4-dione;octadecanoic acid?
imidazolidine-2,4-dione;octadecanoic acid has a molecular weight of 384.56 g/mol, XLogP of 5.16, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;octadecanoic acid is sourced from PubChem (CID 66931522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).