(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one

C15H26N2O3 — CID 101119809

IUPAC(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one
SMILESCC(=O)N1C(=O)N(C(C)=O)[C@H](C(C)(C)C)[C@H]1C(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-9(18)16-11(14(3,4)5)12(15(6,7)8)17(10(2)19)13(16)20/h11-12H,1-8H3/t11-,12-/m0/s1
InChIKeyONWZAHNKHMWPGR-RYUDHWBXSA-N
MW282.38 g/mol
LogP2.65
Rot. Bonds

About (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one

(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one (PubChem CID 101119809) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one
PubChem CID101119809
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one
SMILESCC(=O)N1C(=O)N(C(C)=O)[C@H](C(C)(C)C)[C@H]1C(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-9(18)16-11(14(3,4)5)12(15(6,7)8)17(10(2)19)13(16)20/h11-12H,1-8H3/t11-,12-/m0/s1
InChIKeyONWZAHNKHMWPGR-RYUDHWBXSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 646967
3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
CID 12710759
(3aR,6aR)-4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 726237
(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one
CID 101119798
(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 712333
1-[(4S)-4-tert-butyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
CID 11736091
2,6-diacetyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 2832048
(4S,5S)-3-acetyl-5-bromo-4-[(2-methylpropan-2-yl)oxy]-1,3-oxazolidin-2-one
CID 11208247
1-(5,6-ditert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 146177085
3-acetyl-4-chloro-5-(trichloromethyl)-1,3-oxazolidin-2-one
CID 13024480
1-acetyl-5-fluoropyrrolidin-2-one
CID 45085880

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one?
The IUPAC name of (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one (CID 101119809) is (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one is CC(=O)N1C(=O)N(C(C)=O)[C@H](C(C)(C)C)[C@H]1C(C)(C)C.
What is the InChIKey of (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one?
The InChIKey is ONWZAHNKHMWPGR-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9(18)16-11(14(3,4)5)12(15(6,7)8)17(10(2)19)13(16)20/h11-12H,1-8H3/t11-,12-/m0/s1.
What are the key properties of (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one?
(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one is sourced from PubChem (CID 101119809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).