3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one

C16H33N3O — CID 83236927

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(CC(C)(C)CN(C)C)C1=O
InChIInChI=1S/C16H33N3O/c1-8-13-15(20)19(14(17-13)9-12(2)3)11-16(4,5)10-18(6)7/h12-14,17H,8-11H2,1-7H3
InChIKeyKLOOHCUKYIWKFF-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.16
Rot. Bonds7

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one

3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83236927) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83236927
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(CC(C)(C)CN(C)C)C1=O
InChIInChI=1S/C16H33N3O/c1-8-13-15(20)19(14(17-13)9-12(2)3)11-16(4,5)10-18(6)7/h12-14,17H,8-11H2,1-7H3
InChIKeyKLOOHCUKYIWKFF-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one (CID 83236927) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one is CCC1NC(CC(C)C)N(CC(C)(C)CN(C)C)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is KLOOHCUKYIWKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-8-13-15(20)19(14(17-13)9-12(2)3)11-16(4,5)10-18(6)7/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 283.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83236927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).