7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid

C18H32N2O4 — CID 12788635

IUPAC7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid
SMILESCCCCCCCCN1C(=O)NC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C18H32N2O4/c1-2-3-4-5-8-11-14-20-15(17(23)19-18(20)24)12-9-6-7-10-13-16(21)22/h15H,2-14H2,1H3,(H,21,22)(H,19,23,24)
InChIKeyRLZBUKYONWICLO-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.69
Rot. Bonds14

About 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid

7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid (PubChem CID 12788635) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid.

Molecular Properties

Compound Name7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid
PubChem CID12788635
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid
SMILESCCCCCCCCN1C(=O)NC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C18H32N2O4/c1-2-3-4-5-8-11-14-20-15(17(23)19-18(20)24)12-9-6-7-10-13-16(21)22/h15H,2-14H2,1H3,(H,21,22)(H,19,23,24)
InChIKeyRLZBUKYONWICLO-UHFFFAOYSA-N
XLogP3.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid?
The IUPAC name of 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid (CID 12788635) is 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid.
What is the SMILES notation for 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid?
The canonical SMILES for 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid is CCCCCCCCN1C(=O)NC(=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid?
The InChIKey is RLZBUKYONWICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-2-3-4-5-8-11-14-20-15(17(23)19-18(20)24)12-9-6-7-10-13-16(21)22/h15H,2-14H2,1H3,(H,21,22)(H,19,23,24).
What are the key properties of 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid?
7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid has a molecular weight of 340.46 g/mol, XLogP of 3.69, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-octyl-2,5-dioxoimidazolidin-4-yl)heptanoic acid is sourced from PubChem (CID 12788635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).