5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one

C14H27N3O2 — CID 83250695

IUPAC5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C14H27N3O2/c1-4-11(2)13-14(18)17(12(3)15-13)6-5-16-7-9-19-10-8-16/h11-13,15H,4-10H2,1-3H3
InChIKeyGNFHTIHBXHBEBO-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.51
Rot. Bonds5

About 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one

5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one (PubChem CID 83250695) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
PubChem CID83250695
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C14H27N3O2/c1-4-11(2)13-14(18)17(12(3)15-13)6-5-16-7-9-19-10-8-16/h11-13,15H,4-10H2,1-3H3
InChIKeyGNFHTIHBXHBEBO-UHFFFAOYSA-N
XLogP0.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244982
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
2-methyl-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidin-4-one
CID 83245208
5-butan-2-yl-2-ethyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83253115
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255699
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one (CID 83250695) is 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one is CCC(C)C1NC(C)N(CCN2CCOCC2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one?
The InChIKey is GNFHTIHBXHBEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-11(2)13-14(18)17(12(3)15-13)6-5-16-7-9-19-10-8-16/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one has a molecular weight of 269.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 83250695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).