4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one

C12H23N3O2 — CID 116980688

IUPAC4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)(C)C1CN(CC2CNCCO2)C(=O)N1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)10-8-15(11(16)14-10)7-9-6-13-4-5-17-9/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyUTUIXCGJLAAFSS-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.41
Rot. Bonds2

About 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one

4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one (PubChem CID 116980688) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
PubChem CID116980688
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)(C)C1CN(CC2CNCCO2)C(=O)N1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)10-8-15(11(16)14-10)7-9-6-13-4-5-17-9/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyUTUIXCGJLAAFSS-UHFFFAOYSA-N
XLogP0.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980687
4-cyclohexyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980700
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
2-[(3-tert-butylazetidin-1-yl)methyl]morpholine
CID 115324324
1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
CID 64533654
1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104512049
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
1-(2-morpholin-2-ylethyl)-4-propan-2-ylimidazolidin-2-one
CID 116980660
2-[(3-methylazetidin-1-yl)methyl]morpholine
CID 115324331
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
CID 103533931
4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
CID 104571039

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one (CID 116980688) is 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one is CC(C)(C)C1CN(CC2CNCCO2)C(=O)N1.
What is the InChIKey of 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is UTUIXCGJLAAFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)10-8-15(11(16)14-10)7-9-6-13-4-5-17-9/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one?
4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(morpholin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 116980688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).