4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one

C16H32N2O3 — CID 139925600

IUPAC4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one
SMILESCCC1N(CCOC)C(=O)N(CCOC)C1(CC)C(C)C
InChIInChI=1S/C16H32N2O3/c1-7-14-16(8-2,13(3)4)18(10-12-21-6)15(19)17(14)9-11-20-5/h13-14H,7-12H2,1-6H3
InChIKeyYQWNRRPNUSINPJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.60
Rot. Bonds9

About 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one

4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 139925600) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one
PubChem CID139925600
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one
SMILESCCC1N(CCOC)C(=O)N(CCOC)C1(CC)C(C)C
InChIInChI=1S/C16H32N2O3/c1-7-14-16(8-2,13(3)4)18(10-12-21-6)15(19)17(14)9-11-20-5/h13-14H,7-12H2,1-6H3
InChIKeyYQWNRRPNUSINPJ-UHFFFAOYSA-N
XLogP2.60
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one (CID 139925600) is 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one is CCC1N(CCOC)C(=O)N(CCOC)C1(CC)C(C)C.
What is the InChIKey of 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is YQWNRRPNUSINPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-14-16(8-2,13(3)4)18(10-12-21-6)15(19)17(14)9-11-20-5/h13-14H,7-12H2,1-6H3.
What are the key properties of 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 300.44 g/mol, XLogP of 2.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,3-bis(2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 139925600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).