1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione

C29H48N4O6 — CID 23083858

IUPAC1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(C)CCCC(=O)CCCC(=O)CCCC(C)(C)CN2C(=O)CN(CC)C2=O)C1=O
InChIInChI=1S/C29H48N4O6/c1-7-30-18-24(36)32(26(30)38)20-28(3,4)16-10-14-22(34)12-9-13-23(35)15-11-17-29(5,6)21-33-25(37)19-31(8-2)27(33)39/h7-21H2,1-6H3
InChIKeyBPXLWYKREYVGHH-UHFFFAOYSA-N
MW548.73 g/mol
LogP4.26
Rot. Bonds18

About 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione

1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione (PubChem CID 23083858) has the molecular formula C29H48N4O6 and a molecular weight of 548.73 g/mol. Its IUPAC name is 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione
PubChem CID23083858
Molecular FormulaC29H48N4O6
Molecular Weight548.73 g/mol
Exact Mass548.36
IUPAC Name1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(C)CCCC(=O)CCCC(=O)CCCC(C)(C)CN2C(=O)CN(CC)C2=O)C1=O
InChIInChI=1S/C29H48N4O6/c1-7-30-18-24(36)32(26(30)38)20-28(3,4)16-10-14-22(34)12-9-13-23(35)15-11-17-29(5,6)21-33-25(37)19-31(8-2)27(33)39/h7-21H2,1-6H3
InChIKeyBPXLWYKREYVGHH-UHFFFAOYSA-N
XLogP4.26
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.73
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
CID 69461671
1-ethyl-3-(2,2,5-triethyl-5-methylheptyl)imidazolidine-2,4-dione
CID 174450091
3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
CID 59111000
3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296326
1-ethyl-3-[12-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-2,2,11,11-tetramethyl-5,8-bis(sulfanyl)dodecyl]-4-sulfanylideneimidazolidin-2-one
CID 87978134
3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
CID 59296310
1-ethyl-3-[12-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,8-dihydroxy-2,2,11,11-tetramethyldodecyl]-2-sulfanylideneimidazolidin-4-one
CID 59659685
3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
CID 143079825
1-ethyl-3-[4-[3-[4-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3,3-dimethylbutoxy]propoxy]-2,2-dimethylbutyl]-2-sulfanylideneimidazolidin-4-one
CID 11785852
3-[9-[7-(3-ethenyl-2,5-dioxoimidazolidin-1-yl)-5,5-dimethylheptoxy]-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 22085275
1-(5-hydroxy-2,2-dimethylpentyl)pyrrolidine-2,5-dione
CID 106146212
1,17-dihydroxy-3,3,15,15-tetramethylheptadecane-7,11-dione
CID 23431441

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione (CID 23083858) is 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione is CCN1CC(=O)N(CC(C)(C)CCCC(=O)CCCC(=O)CCCC(C)(C)CN2C(=O)CN(CC)C2=O)C1=O.
What is the InChIKey of 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione?
The InChIKey is BPXLWYKREYVGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N4O6/c1-7-30-18-24(36)32(26(30)38)20-28(3,4)16-10-14-22(34)12-9-13-23(35)15-11-17-29(5,6)21-33-25(37)19-31(8-2)27(33)39/h7-21H2,1-6H3.
What are the key properties of 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione?
1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione has a molecular weight of 548.73 g/mol, XLogP of 4.26, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23083858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).