4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one

C17H34N2O3 — CID 59584580

IUPAC4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one
SMILESCCCOCN1C(=O)N(COCCC)C(C)(CC)C1(C)CC
InChIInChI=1S/C17H34N2O3/c1-7-11-21-13-18-15(20)19(14-22-12-8-2)17(6,10-4)16(18,5)9-3/h7-14H2,1-6H3
InChIKeySMBNEHFWCASVGW-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.83
Rot. Bonds10

About 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one

4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one (PubChem CID 59584580) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one
PubChem CID59584580
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one
SMILESCCCOCN1C(=O)N(COCCC)C(C)(CC)C1(C)CC
InChIInChI=1S/C17H34N2O3/c1-7-11-21-13-18-15(20)19(14-22-12-8-2)17(6,10-4)16(18,5)9-3/h7-14H2,1-6H3
InChIKeySMBNEHFWCASVGW-UHFFFAOYSA-N
XLogP3.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one?
The IUPAC name of 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one (CID 59584580) is 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one is CCCOCN1C(=O)N(COCCC)C(C)(CC)C1(C)CC.
What is the InChIKey of 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one?
The InChIKey is SMBNEHFWCASVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-7-11-21-13-18-15(20)19(14-22-12-8-2)17(6,10-4)16(18,5)9-3/h7-14H2,1-6H3.
What are the key properties of 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one?
4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one has a molecular weight of 314.47 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4,5-dimethyl-1,3-bis(propoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 59584580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).