1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one

C20H41N3O — CID 22381148

IUPAC1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one
SMILESCCCCNC(C(CC)CCCC)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C20H41N3O/c1-6-10-12-17(8-3)19(21-13-11-7-2)18(9-4)15-23-16(5)14-22-20(23)24/h16-19,21H,6-15H2,1-5H3,(H,22,24)
InChIKeyLITKZXOKKNJHIG-UHFFFAOYSA-N
MW339.57 g/mol
LogP4.40
Rot. Bonds13

About 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one

1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one (PubChem CID 22381148) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one
PubChem CID22381148
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC Name1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one
SMILESCCCCNC(C(CC)CCCC)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C20H41N3O/c1-6-10-12-17(8-3)19(21-13-11-7-2)18(9-4)15-23-16(5)14-22-20(23)24/h16-19,21H,6-15H2,1-5H3,(H,22,24)
InChIKeyLITKZXOKKNJHIG-UHFFFAOYSA-N
XLogP4.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one (CID 22381148) is 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one is CCCCNC(C(CC)CCCC)C(CC)CN1C(=O)NCC1C.
What is the InChIKey of 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one?
The InChIKey is LITKZXOKKNJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O/c1-6-10-12-17(8-3)19(21-13-11-7-2)18(9-4)15-23-16(5)14-22-20(23)24/h16-19,21H,6-15H2,1-5H3,(H,22,24).
What are the key properties of 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one?
1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one has a molecular weight of 339.57 g/mol, XLogP of 4.40, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 22381148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).