7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid

C19H34N2O6 — CID 12788621

IUPAC7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid
SMILESCCCCOC(OCCCC)C1C(=O)NC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C19H34N2O6/c1-3-5-13-26-18(27-14-6-4-2)16-17(24)20-19(25)21(16)12-10-8-7-9-11-15(22)23/h16,18H,3-14H2,1-2H3,(H,22,23)(H,20,24,25)
InChIKeyFTQRPFYOHWHUHZ-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.90
Rot. Bonds16

About 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid

7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid (PubChem CID 12788621) has the molecular formula C19H34N2O6 and a molecular weight of 386.49 g/mol. Its IUPAC name is 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid
PubChem CID12788621
Molecular FormulaC19H34N2O6
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Name7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid
SMILESCCCCOC(OCCCC)C1C(=O)NC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C19H34N2O6/c1-3-5-13-26-18(27-14-6-4-2)16-17(24)20-19(25)21(16)12-10-8-7-9-11-15(22)23/h16,18H,3-14H2,1-2H3,(H,22,23)(H,20,24,25)
InChIKeyFTQRPFYOHWHUHZ-UHFFFAOYSA-N
XLogP2.90
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid?
The IUPAC name of 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid (CID 12788621) is 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid is CCCCOC(OCCCC)C1C(=O)NC(=O)N1CCCCCCC(=O)O.
What is the InChIKey of 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid?
The InChIKey is FTQRPFYOHWHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O6/c1-3-5-13-26-18(27-14-6-4-2)16-17(24)20-19(25)21(16)12-10-8-7-9-11-15(22)23/h16,18H,3-14H2,1-2H3,(H,22,23)(H,20,24,25).
What are the key properties of 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid?
7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid has a molecular weight of 386.49 g/mol, XLogP of 2.90, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(dibutoxymethyl)-2,4-dioxoimidazolidin-1-yl]heptanoic acid is sourced from PubChem (CID 12788621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).