1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one

C15H29ClN2O4 — CID 87691474

IUPAC1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCCOCCOCCOCCN1C(=O)C(C)(C)N(Cl)C1(C)C
InChIInChI=1S/C15H29ClN2O4/c1-6-20-9-10-22-12-11-21-8-7-17-13(19)14(2,3)18(16)15(17,4)5/h6-12H2,1-5H3
InChIKeyBZMDDTHPROFZBK-UHFFFAOYSA-N
MW336.86 g/mol
LogP1.87
Rot. Bonds10

About 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one

1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one (PubChem CID 87691474) has the molecular formula C15H29ClN2O4 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one.

Molecular Properties

Compound Name1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
PubChem CID87691474
Molecular FormulaC15H29ClN2O4
Molecular Weight336.86 g/mol
Exact Mass336.18
IUPAC Name1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCCOCCOCCOCCN1C(=O)C(C)(C)N(Cl)C1(C)C
InChIInChI=1S/C15H29ClN2O4/c1-6-20-9-10-22-12-11-21-8-7-17-13(19)14(2,3)18(16)15(17,4)5/h6-12H2,1-5H3
InChIKeyBZMDDTHPROFZBK-UHFFFAOYSA-N
XLogP1.87
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The IUPAC name of 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one (CID 87691474) is 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one.
What is the SMILES notation for 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The canonical SMILES for 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one is CCOCCOCCOCCN1C(=O)C(C)(C)N(Cl)C1(C)C.
What is the InChIKey of 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The InChIKey is BZMDDTHPROFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN2O4/c1-6-20-9-10-22-12-11-21-8-7-17-13(19)14(2,3)18(16)15(17,4)5/h6-12H2,1-5H3.
What are the key properties of 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one has a molecular weight of 336.86 g/mol, XLogP of 1.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one is sourced from PubChem (CID 87691474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).