ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate

C24H44N2O4 — CID 70510315

IUPACethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
SMILESCCCCC(CCC1NC(=O)NC1=O)CC(CCC)CCCCCCC(=O)OCC
InChIInChI=1S/C24H44N2O4/c1-4-7-13-20(16-17-21-23(28)26-24(29)25-21)18-19(12-5-2)14-10-8-9-11-15-22(27)30-6-3/h19-21H,4-18H2,1-3H3,(H2,25,26,28,29)
InChIKeySEZJNIMXUQTLES-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.49
Rot. Bonds18

About ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate

ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate (PubChem CID 70510315) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate.

Molecular Properties

Compound Nameethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
PubChem CID70510315
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Nameethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
SMILESCCCCC(CCC1NC(=O)NC1=O)CC(CCC)CCCCCCC(=O)OCC
InChIInChI=1S/C24H44N2O4/c1-4-7-13-20(16-17-21-23(28)26-24(29)25-21)18-19(12-5-2)14-10-8-9-11-15-22(27)30-6-3/h19-21H,4-18H2,1-3H3,(H2,25,26,28,29)
InChIKeySEZJNIMXUQTLES-UHFFFAOYSA-N
XLogP5.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.49
H-Bond Donors ≤ 52
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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Related Compounds

ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate
CID 70510317
12-(2,5-dioxoimidazolidin-4-yl)-10-(oxan-2-yloxy)-8-propyldodecanoic acid
CID 70611765
ethyl 6-pentylpentadecanoate
CID 86165388
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl 9-hydroxyhexadecanoate
CID 129223650
3-decyltridecyl octanoate
CID 177165156
ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 9,10-dimethylhexadecanoate
CID 71392798
3-pentyloctyl octadecanoate
CID 176884035

Frequently Asked Questions

What is the IUPAC name of ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate?
The IUPAC name of ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate (CID 70510315) is ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate.
What is the SMILES notation for ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate?
The canonical SMILES for ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate is CCCCC(CCC1NC(=O)NC1=O)CC(CCC)CCCCCCC(=O)OCC.
What is the InChIKey of ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate?
The InChIKey is SEZJNIMXUQTLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-4-7-13-20(16-17-21-23(28)26-24(29)25-21)18-19(12-5-2)14-10-8-9-11-15-22(27)30-6-3/h19-21H,4-18H2,1-3H3,(H2,25,26,28,29).
What are the key properties of ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate?
ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate has a molecular weight of 424.63 g/mol, XLogP of 5.49, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate is sourced from PubChem (CID 70510315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).