N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide

C37H60F3N3O8 — CID 123720159

IUPACN-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide
SMILESC=C(C=C(C)C(F)(F)F)N1CN(CCCC(=O)NCCOCCOCCOCCOCCOCCOC23CC4CC(CC(C4)C2)C3)C(C)(C)C1=O
InChIInChI=1S/C37H60F3N3O8/c1-28(37(38,39)40)20-29(2)43-27-42(35(3,4)34(43)45)8-5-6-33(44)41-7-9-46-10-11-47-12-13-48-14-15-49-16-17-50-18-19-51-36-24-30-21-31(25-36)23-32(22-30)26-36/h20,30-32H,2,5-19,21-27H2,1,3-4H3,(H,41,44)
InChIKeyAWBYFRQXMYRCAZ-UHFFFAOYSA-N
MW731.89 g/mol
LogP4.85
Rot. Bonds25

About N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide

N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide (PubChem CID 123720159) has the molecular formula C37H60F3N3O8 and a molecular weight of 731.89 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide
PubChem CID123720159
Molecular FormulaC37H60F3N3O8
Molecular Weight731.89 g/mol
Exact Mass731.43
IUPAC NameN-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide
SMILESC=C(C=C(C)C(F)(F)F)N1CN(CCCC(=O)NCCOCCOCCOCCOCCOCCOC23CC4CC(CC(C4)C2)C3)C(C)(C)C1=O
InChIInChI=1S/C37H60F3N3O8/c1-28(37(38,39)40)20-29(2)43-27-42(35(3,4)34(43)45)8-5-6-33(44)41-7-9-46-10-11-47-12-13-48-14-15-49-16-17-50-18-19-51-36-24-30-21-31(25-36)23-32(22-30)26-36/h20,30-32H,2,5-19,21-27H2,1,3-4H3,(H,41,44)
InChIKeyAWBYFRQXMYRCAZ-UHFFFAOYSA-N
XLogP4.85
TPSA108.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500731.89
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide with MolForge

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Related Compounds

N-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl]-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]butanamide
CID 158020922
N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
CID 166943535
2-[[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 101492579
N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55407932
4-[3-[7-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]-4-oxoheptyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 147738128
N-[2-[2-[2-(3-hydroxypropanoylamino)ethoxy]ethoxy]ethyl]-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 58290198
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 25221074
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959
3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
CID 90126300
N-(1-adamantyl)-3-[2-[2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]propanamide
CID 58545006
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide (CID 123720159) is N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide is C=C(C=C(C)C(F)(F)F)N1CN(CCCC(=O)NCCOCCOCCOCCOCCOCCOC23CC4CC(CC(C4)C2)C3)C(C)(C)C1=O.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide?
The InChIKey is AWBYFRQXMYRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60F3N3O8/c1-28(37(38,39)40)20-29(2)43-27-42(35(3,4)34(43)45)8-5-6-33(44)41-7-9-46-10-11-47-12-13-48-14-15-49-16-17-50-18-19-51-36-24-30-21-31(25-36)23-32(22-30)26-36/h20,30-32H,2,5-19,21-27H2,1,3-4H3,(H,41,44).
What are the key properties of N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide?
N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide has a molecular weight of 731.89 g/mol, XLogP of 4.85, 25 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide is sourced from PubChem (CID 123720159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).