methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate

C28H30N2O6 — CID 122209072

IUPACmethyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)CN1[C@H](c2ccc(OC)cc2)[C@H](C(=O)OC)N(c2ccccc2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C28H30N2O6/c1-33-22-14-10-19(11-15-22)25-26(28(32)36-4)30(21-8-6-5-7-9-21)27(29(25)18-24(31)35-3)20-12-16-23(34-2)17-13-20/h5-17,25-27H,18H2,1-4H3/t25-,26-,27-/m1/s1
InChIKeySEPUXEWCIHTYKE-ZONZVBGPSA-N
MW490.56 g/mol
LogP3.98
Rot. Bonds8

About methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate

methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate (PubChem CID 122209072) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate
PubChem CID122209072
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Namemethyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate
SMILESCOC(=O)CN1[C@H](c2ccc(OC)cc2)[C@H](C(=O)OC)N(c2ccccc2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C28H30N2O6/c1-33-22-14-10-19(11-15-22)25-26(28(32)36-4)30(21-8-6-5-7-9-21)27(29(25)18-24(31)35-3)20-12-16-23(34-2)17-13-20/h5-17,25-27H,18H2,1-4H3/t25-,26-,27-/m1/s1
InChIKeySEPUXEWCIHTYKE-ZONZVBGPSA-N
XLogP3.98
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate with MolForge

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Related Compounds

methyl (2R,4R,5S)-1-(2-methoxy-2-oxoethyl)-3-phenyl-2,5-dithiophen-2-ylimidazolidine-4-carboxylate
CID 122209077
ethyl (2S,3S)-3-(4-methoxyphenyl)-1-phenylaziridine-2-carboxylate
CID 15761716
ethyl (2R,3R)-1-(4-methoxyphenyl)-3-phenylaziridine-2-carboxylate
CID 11033818
dimethyl (2S,3S)-1-(4-methoxyphenyl)aziridine-2,3-dicarboxylate
CID 15349099
methyl 3-(4-methoxyphenyl)-1-prop-2-ynylaziridine-2-carboxylate
CID 102297117
methyl (2S,3S)-1-(3-methoxy-3-oxopropyl)-3-phenylaziridine-2-carboxylate
CID 23266537
ethyl (2S,3R)-1-benzyl-3-(4-methoxyphenyl)aziridine-2-carboxylate
CID 101067614
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
dimethyl (1S,3S,3aR,11bS)-2-(4-methoxyphenyl)-1,3,3a,11b-tetrahydrophenanthro[9,10-c]pyrrole-1,3-dicarboxylate
CID 26475940
tetraethyl 6,12-bis(4-methoxyphenyl)-3,9-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5,7,11-tetracarboxylate
CID 73212305
(2R,3S)-2-di(propan-2-yloxy)phosphoryl-1-(4-methoxyphenyl)-3-phenylaziridine
CID 102087222

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate?
The IUPAC name of methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate (CID 122209072) is methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate?
The canonical SMILES for methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate is COC(=O)CN1[C@H](c2ccc(OC)cc2)[C@H](C(=O)OC)N(c2ccccc2)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate?
The InChIKey is SEPUXEWCIHTYKE-ZONZVBGPSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-33-22-14-10-19(11-15-22)25-26(28(32)36-4)30(21-8-6-5-7-9-21)27(29(25)18-24(31)35-3)20-12-16-23(34-2)17-13-20/h5-17,25-27H,18H2,1-4H3/t25-,26-,27-/m1/s1.
What are the key properties of methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate?
methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R,5R)-1-(2-methoxy-2-oxoethyl)-2,5-bis(4-methoxyphenyl)-3-phenylimidazolidine-4-carboxylate is sourced from PubChem (CID 122209072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).