methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate

C31H44N2O5Si — CID 73333980

IUPACmethyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate
SMILESCOC(=O)CCCCC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C31H44N2O5Si/c1-31(2,3)39(5,6)38-23-26-29(27(34)19-13-14-20-28(35)37-4)33(22-25-17-11-8-12-18-25)30(36)32(26)21-24-15-9-7-10-16-24/h7-12,15-18,26,29H,13-14,19-23H2,1-6H3/t26-,29+/m0/s1
InChIKeyGALMHVITYCMYLW-LITSAYRRSA-N
MW552.79 g/mol
LogP6.19
Rot. Bonds13

About methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate

methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate (PubChem CID 73333980) has the molecular formula C31H44N2O5Si and a molecular weight of 552.79 g/mol. Its IUPAC name is methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate
PubChem CID73333980
Molecular FormulaC31H44N2O5Si
Molecular Weight552.79 g/mol
Exact Mass552.30
IUPAC Namemethyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate
SMILESCOC(=O)CCCCC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C31H44N2O5Si/c1-31(2,3)39(5,6)38-23-26-29(27(34)19-13-14-20-28(35)37-4)33(22-25-17-11-8-12-18-25)30(36)32(26)21-24-15-9-7-10-16-24/h7-12,15-18,26,29H,13-14,19-23H2,1-6H3/t26-,29+/m0/s1
InChIKeyGALMHVITYCMYLW-LITSAYRRSA-N
XLogP6.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.79
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10696964
methyl 6-[(4R,5R)-1,3-dibenzyl-5-(hydroxymethyl)-2-oxoimidazolidin-4-yl]-6-oxohexanoate
CID 73333981
methyl 6-[(4R,5R)-5-(acetylsulfanylmethyl)-1,3-dibenzyl-2-oxoimidazolidin-4-yl]-6-oxohexanoate
CID 73333982
ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate
CID 134963269
Methyl 6-[5-(acetylsulfanylmethyl)-1,3-dibenzyl-2-oxoimidazolidin-4-yl]-6-oxohexanoate
CID 135026250
Di-n-butyl cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
CID 18595937
Dibutyl 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate
CID 20264970
Methyl 8-(3-benzyl-2-oxo-4-phenylimidazolidin-1-yl)octanoate
CID 70519412
Dimethyl 1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4,5-dicarboxylate
CID 139818714
dimethyl 2-oxo-1,3-bis[(1R)-1-phenylethyl]imidazolidine-4,5-dicarboxylate
CID 139818744
Dimethyl 2-oxo-1,3-bis(1-phenylethyl)imidazolidine-4,5-dicarboxylate
CID 139818751
Methyl 5-benzoyl-1-benzyl-2-oxo-3-(1-phenylethyl)imidazolidine-4-carboxylate
CID 139818808

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate?
The IUPAC name of methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate (CID 73333980) is methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate.
What is the SMILES notation for methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate?
The canonical SMILES for methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate is COC(=O)CCCCC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate?
The InChIKey is GALMHVITYCMYLW-LITSAYRRSA-N. The full InChI is InChI=1S/C31H44N2O5Si/c1-31(2,3)39(5,6)38-23-26-29(27(34)19-13-14-20-28(35)37-4)33(22-25-17-11-8-12-18-25)30(36)32(26)21-24-15-9-7-10-16-24/h7-12,15-18,26,29H,13-14,19-23H2,1-6H3/t26-,29+/m0/s1.
What are the key properties of methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate?
methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate has a molecular weight of 552.79 g/mol, XLogP of 6.19, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate is sourced from PubChem (CID 73333980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).