12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid

C23H40N2O6 — CID 70611765

IUPAC12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid
SMILESCCCC(CCCCCCC(=O)O)CC(CCC1NC(=O)NC1=O)OC1CCCCO1
InChIInChI=1S/C23H40N2O6/c1-2-9-17(10-5-3-4-6-11-20(26)27)16-18(31-21-12-7-8-15-30-21)13-14-19-22(28)25-23(29)24-19/h17-19,21H,2-16H2,1H3,(H,26,27)(H2,24,25,28,29)
InChIKeyFVCCOZFOKVCYQP-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.12
Rot. Bonds16

About 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid

12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid (PubChem CID 70611765) has the molecular formula C23H40N2O6 and a molecular weight of 440.58 g/mol. Its IUPAC name is 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid.

Molecular Properties

Compound Name12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid
PubChem CID70611765
Molecular FormulaC23H40N2O6
Molecular Weight440.58 g/mol
Exact Mass440.29
IUPAC Name12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid
SMILESCCCC(CCCCCCC(=O)O)CC(CCC1NC(=O)NC1=O)OC1CCCCO1
InChIInChI=1S/C23H40N2O6/c1-2-9-17(10-5-3-4-6-11-20(26)27)16-18(31-21-12-7-8-15-30-21)13-14-19-22(28)25-23(29)24-19/h17-19,21H,2-16H2,1H3,(H,26,27)(H2,24,25,28,29)
InChIKeyFVCCOZFOKVCYQP-UHFFFAOYSA-N
XLogP4.12
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
CID 70510315
2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid
CID 14852585
2-hexyl-3-hydroxy-5-[(2R)-oxan-2-yl]oxyhexadecanoic acid
CID 18639601
3-hydroxy-2-methyl-5-(oxan-2-yloxy)hexadecanoic acid
CID 19794768
2-[3-[(2R)-oxan-2-yl]oxyheptanoyl]dodecanoic acid
CID 54308956
(2S)-2-[(1R)-1-(oxan-2-yloxy)octyl]dodecanoic acid
CID 101131263
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
2-[1-hydroxy-3-[(2R)-oxan-2-yl]oxyheptylidene]dodecanoic acid
CID 67855741
2-hexyl-3-hydroxy-5-[(2R)-oxan-2-yl]oxynon-2-enoic acid
CID 67855834
(7R)-7-methyl-10-(oxan-2-yloxy)henicosan-8-ol
CID 70401904
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2-acetyl-2-[7-(oxan-2-yloxy)dodec-2-yn-4-yl]nonanedioic acid
CID 154127827

Frequently Asked Questions

What is the IUPAC name of 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid?
The IUPAC name of 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid (CID 70611765) is 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid.
What is the SMILES notation for 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid?
The canonical SMILES for 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid is CCCC(CCCCCCC(=O)O)CC(CCC1NC(=O)NC1=O)OC1CCCCO1.
What is the InChIKey of 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid?
The InChIKey is FVCCOZFOKVCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O6/c1-2-9-17(10-5-3-4-6-11-20(26)27)16-18(31-21-12-7-8-15-30-21)13-14-19-22(28)25-23(29)24-19/h17-19,21H,2-16H2,1H3,(H,26,27)(H2,24,25,28,29).
What are the key properties of 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid?
12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid has a molecular weight of 440.58 g/mol, XLogP of 4.12, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid is sourced from PubChem (CID 70611765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).