ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate

C24H44N2O4 — CID 70510317

IUPACethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate
SMILESCCCCC(CCN1CC(=O)NC1=O)CC(CCC)CCCCCCC(=O)OCC
InChIInChI=1S/C24H44N2O4/c1-4-7-13-21(16-17-26-19-22(27)25-24(26)29)18-20(12-5-2)14-10-8-9-11-15-23(28)30-6-3/h20-21H,4-19H2,1-3H3,(H,25,27,29)
InChIKeyNUGFSZWVHCSWLV-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.44
Rot. Bonds18

About ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate

ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate (PubChem CID 70510317) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate.

Molecular Properties

Compound Nameethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate
PubChem CID70510317
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Nameethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate
SMILESCCCCC(CCN1CC(=O)NC1=O)CC(CCC)CCCCCCC(=O)OCC
InChIInChI=1S/C24H44N2O4/c1-4-7-13-21(16-17-26-19-22(27)25-24(26)29)18-20(12-5-2)14-10-8-9-11-15-23(28)30-6-3/h20-21H,4-19H2,1-3H3,(H,25,27,29)
InChIKeyNUGFSZWVHCSWLV-UHFFFAOYSA-N
XLogP5.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
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-(2,5-dioxoimidazolidin-4-yl)ethyl]-8-propyltetradecanoate
CID 70510315
ethyl 6-pentylpentadecanoate
CID 86165388
ethyl 6-(2-methyl-3,5-dioxopiperazin-1-yl)hexanoate
CID 66061766
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327
ethyl 9-hydroxyhexadecanoate
CID 129223650
ethyl 9,10-dimethylhexadecanoate
CID 71392798
ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 3-butylnonanoate
CID 131636821
ethyl decanoate;methanol
CID 161391102

Frequently Asked Questions

What is the IUPAC name of ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate?
The IUPAC name of ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate (CID 70510317) is ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate.
What is the SMILES notation for ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate?
The canonical SMILES for ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate is CCCCC(CCN1CC(=O)NC1=O)CC(CCC)CCCCCCC(=O)OCC.
What is the InChIKey of ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate?
The InChIKey is NUGFSZWVHCSWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-4-7-13-21(16-17-26-19-22(27)25-24(26)29)18-20(12-5-2)14-10-8-9-11-15-23(28)30-6-3/h20-21H,4-19H2,1-3H3,(H,25,27,29).
What are the key properties of ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate?
ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate has a molecular weight of 424.63 g/mol, XLogP of 5.44, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-[2-(2,4-dioxoimidazolidin-1-yl)ethyl]-8-propyltetradecanoate is sourced from PubChem (CID 70510317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).