5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one

C16H31N3O2 — CID 83244982

IUPAC5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C16H31N3O2/c1-5-13(4)14-16(20)19(15(17-14)12(2)3)7-6-18-8-10-21-11-9-18/h12-15,17H,5-11H2,1-4H3
InChIKeyBZWPFVGINRVELJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.15
Rot. Bonds6

About 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one

5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83244982) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83244982
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C16H31N3O2/c1-5-13(4)14-16(20)19(15(17-14)12(2)3)7-6-18-8-10-21-11-9-18/h12-15,17H,5-11H2,1-4H3
InChIKeyBZWPFVGINRVELJ-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 83259293
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-2-ethyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83253115
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83252000
2,5-diethyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250866
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
CID 83245017
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83259998

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one (CID 83244982) is 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one is CCC(C)C1NC(C(C)C)N(CCN2CCOCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is BZWPFVGINRVELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-13(4)14-16(20)19(15(17-14)12(2)3)7-6-18-8-10-21-11-9-18/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 297.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83244982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).