1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one

C18H36N2O3 — CID 139925620

IUPAC1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
SMILESCCCC1N(CCOC)C(=O)N(CCOC)C1(CCC)CCC
InChIInChI=1S/C18H36N2O3/c1-6-9-16-18(10-7-2,11-8-3)20(13-15-23-5)17(21)19(16)12-14-22-4/h16H,6-15H2,1-5H3
InChIKeyMSSKSMJKQXOKFF-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.52
Rot. Bonds12

About 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one

1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one (PubChem CID 139925620) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
PubChem CID139925620
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one
SMILESCCCC1N(CCOC)C(=O)N(CCOC)C1(CCC)CCC
InChIInChI=1S/C18H36N2O3/c1-6-9-16-18(10-7-2,11-8-3)20(13-15-23-5)17(21)19(16)12-14-22-4/h16H,6-15H2,1-5H3
InChIKeyMSSKSMJKQXOKFF-UHFFFAOYSA-N
XLogP3.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
The IUPAC name of 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one (CID 139925620) is 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one is CCCC1N(CCOC)C(=O)N(CCOC)C1(CCC)CCC.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
The InChIKey is MSSKSMJKQXOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-6-9-16-18(10-7-2,11-8-3)20(13-15-23-5)17(21)19(16)12-14-22-4/h16H,6-15H2,1-5H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one?
1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one has a molecular weight of 328.50 g/mol, XLogP of 3.52, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-4,4,5-tripropylimidazolidin-2-one is sourced from PubChem (CID 139925620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).