ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate

C22H26N2O4 — CID 134963269

IUPACethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate
SMILESCCOC(=O)CN1[C@H](c2ccccc2)N[C@H](C(=O)OCC)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-3-27-18(25)15-24-20(16-11-7-5-8-12-16)19(22(26)28-4-2)23-21(24)17-13-9-6-10-14-17/h5-14,19-21,23H,3-4,15H2,1-2H3/t19-,20-,21+/m0/s1
InChIKeyNQIVQMVVSZWUPA-PCCBWWKXSA-N
MW382.46 g/mol
LogP2.83
Rot. Bonds7

About ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate

ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate (PubChem CID 134963269) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate
PubChem CID134963269
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate
SMILESCCOC(=O)CN1[C@H](c2ccccc2)N[C@H](C(=O)OCC)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-3-27-18(25)15-24-20(16-11-7-5-8-12-16)19(22(26)28-4-2)23-21(24)17-13-9-6-10-14-17/h5-14,19-21,23H,3-4,15H2,1-2H3/t19-,20-,21+/m0/s1
InChIKeyNQIVQMVVSZWUPA-PCCBWWKXSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (1R,3R,4S)-8-oxo-1,4-diphenyl-1,2,3,4,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazine-3-carboxylate
CID 134948566
methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate
CID 138980057
ethyl 1-(2-chlorophenyl)-8-oxo-4-phenyl-1,2,3,4,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazine-3-carboxylate
CID 102226835
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl (2S,4S,5R)-4-acetyl-5-phenylpyrrolidine-2-carboxylate
CID 102082926
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
methyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 73324817
diethyl (2R,3S,5R,6S)-4-oxo-2,6-diphenylpiperidine-3,5-dicarboxylate
CID 100887053
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl (2S,3R)-1-methyl-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 6997580
diethyl (1S,3S,3aS,6aR)-4,6-dioxo-5-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-1,3-dicarboxylate
CID 71519265

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate?
The IUPAC name of ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate (CID 134963269) is ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate.
What is the SMILES notation for ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate?
The canonical SMILES for ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate is CCOC(=O)CN1[C@H](c2ccccc2)N[C@H](C(=O)OCC)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate?
The InChIKey is NQIVQMVVSZWUPA-PCCBWWKXSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-27-18(25)15-24-20(16-11-7-5-8-12-16)19(22(26)28-4-2)23-21(24)17-13-9-6-10-14-17/h5-14,19-21,23H,3-4,15H2,1-2H3/t19-,20-,21+/m0/s1.
What are the key properties of ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate?
ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-diphenylimidazolidine-4-carboxylate is sourced from PubChem (CID 134963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).