1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one

C18H37N3O — CID 22381187

IUPAC1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one
SMILESCCCCC(CC)C(NCC)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C18H37N3O/c1-6-10-11-15(7-2)17(19-9-4)16(8-3)13-21-14(5)12-20-18(21)22/h14-17,19H,6-13H2,1-5H3,(H,20,22)
InChIKeyLUPUVCGQRGQRCD-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.62
Rot. Bonds11

About 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one

1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one (PubChem CID 22381187) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one
PubChem CID22381187
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one
SMILESCCCCC(CC)C(NCC)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C18H37N3O/c1-6-10-11-15(7-2)17(19-9-4)16(8-3)13-21-14(5)12-20-18(21)22/h14-17,19H,6-13H2,1-5H3,(H,20,22)
InChIKeyLUPUVCGQRGQRCD-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one (CID 22381187) is 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one is CCCCC(CC)C(NCC)C(CC)CN1C(=O)NCC1C.
What is the InChIKey of 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one?
The InChIKey is LUPUVCGQRGQRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-6-10-11-15(7-2)17(19-9-4)16(8-3)13-21-14(5)12-20-18(21)22/h14-17,19H,6-13H2,1-5H3,(H,20,22).
What are the key properties of 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one?
1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one has a molecular weight of 311.51 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 22381187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).