3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one

C17H34N2O — CID 102915982

IUPAC3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC(C(C)C)C(C)C)C1=O
InChIInChI=1S/C17H34N2O/c1-8-9-15-17(20)19(16(18-15)13(6)7)10-14(11(2)3)12(4)5/h11-16,18H,8-10H2,1-7H3
InChIKeyUJGARCJNYWQZAS-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.50
Rot. Bonds7

About 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one

3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 102915982) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID102915982
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC(C(C)C)C(C)C)C1=O
InChIInChI=1S/C17H34N2O/c1-8-9-15-17(20)19(16(18-15)13(6)7)10-14(11(2)3)12(4)5/h11-16,18H,8-10H2,1-7H3
InChIKeyUJGARCJNYWQZAS-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916125
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
3-methyl-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83260226
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
5-ethyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83242217
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 106053040
3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83252942
3-[(4-methylthiophen-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83271175
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83248207

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one (CID 102915982) is 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(CC(C(C)C)C(C)C)C1=O.
What is the InChIKey of 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is UJGARCJNYWQZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-8-9-15-17(20)19(16(18-15)13(6)7)10-14(11(2)3)12(4)5/h11-16,18H,8-10H2,1-7H3.
What are the key properties of 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one?
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 102915982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).