tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate

C23H28N2O4 — CID 102382984

IUPACtert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)N(CCc2ccccc2)C(O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(28)25-19(16-18-12-8-5-9-13-18)20(26)24(21(25)27)15-14-17-10-6-4-7-11-17/h4-13,19-20,26H,14-16H2,1-3H3/t19-,20?/m0/s1
InChIKeyIWTQEVUPMVACDX-XJDOXCRVSA-N
MW396.49 g/mol
LogP3.83
Rot. Bonds5

About tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate

tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate (PubChem CID 102382984) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate
PubChem CID102382984
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nametert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)N(CCc2ccccc2)C(O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(28)25-19(16-18-12-8-5-9-13-18)20(26)24(21(25)27)15-14-17-10-6-4-7-11-17/h4-13,19-20,26H,14-16H2,1-3H3/t19-,20?/m0/s1
InChIKeyIWTQEVUPMVACDX-XJDOXCRVSA-N
XLogP3.83
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
CID 139809811
tert-butyl (2S,3R,4R)-2-benzyl-3-hydroxy-5-oxo-4-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 11047198
tert-butyl (3S,5R)-5-benzyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 71573510
tert-butyl (4S,5S)-4-benzyl-5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 10949461
tert-butyl 3-benzyl-2-hydroxy-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
CID 135061189
tert-butyl 6-hydroxy-3-oxo-4-(2-phenylethyl)-1,4-diazepane-1-carboxylate
CID 118738680
tert-butyl (2S)-2-benzyl-3-hydroxy-5-oxo-4-propanoyl-2H-pyrrole-1-carboxylate
CID 155538449
tert-butyl (2S,5R)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
CID 59614349
tert-butyl (2S,3S)-3-hydroxy-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 142524678
1-O-tert-butyl 6-O,7-O-dimethyl (2S,3S,6S,7S)-2-benzyl-3-(methoxymethoxy)-3,4,5,6,7,8-hexahydro-2H-quinoline-1,6,7-tricarboxylate
CID 102325407
tert-butyl 5-benzyl-3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxylate
CID 102237352

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate (CID 102382984) is tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)N(CCc2ccccc2)C(O)[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate?
The InChIKey is IWTQEVUPMVACDX-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,3)29-22(28)25-19(16-18-12-8-5-9-13-18)20(26)24(21(25)27)15-14-17-10-6-4-7-11-17/h4-13,19-20,26H,14-16H2,1-3H3/t19-,20?/m0/s1.
What are the key properties of tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate?
tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-benzyl-4-hydroxy-2-oxo-3-(2-phenylethyl)imidazolidine-1-carboxylate is sourced from PubChem (CID 102382984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).