(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione

C33H31NO3 — CID 140944865

IUPAC(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione
SMILESCOc1ccc([C@@H](C)[C@]2(C)CC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C33H31NO3/c1-24(25-19-21-29(37-3)22-20-25)32(2)23-30(35)34(31(32)36)33(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,24H,23H2,1-3H3/t24-,32+/m1/s1
InChIKeyICUVIIQIHBDGJG-QNLPTKCRSA-N
MW489.62 g/mol
LogP6.56
Rot. Bonds7

About (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione

(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione (PubChem CID 140944865) has the molecular formula C33H31NO3 and a molecular weight of 489.62 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione
PubChem CID140944865
Molecular FormulaC33H31NO3
Molecular Weight489.62 g/mol
Exact Mass489.23
IUPAC Name(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione
SMILESCOc1ccc([C@@H](C)[C@]2(C)CC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C33H31NO3/c1-24(25-19-21-29(37-3)22-20-25)32(2)23-30(35)34(31(32)36)33(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,24H,23H2,1-3H3/t24-,32+/m1/s1
InChIKeyICUVIIQIHBDGJG-QNLPTKCRSA-N
XLogP6.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione
CID 146624385
(3S)-3-[1-[4-(2-hydroxyethyl)phenyl]ethyl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 146624379
(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 140944867
(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 164523167
3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one
CID 102051245
3-amino-6-bromo-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 175254131
(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol
CID 177412112
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
4-[(4-methoxyphenyl)-diphenylmethyl]morpholine
CID 70697309
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
CID 134955968
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione (CID 140944865) is (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione is COc1ccc([C@@H](C)[C@]2(C)CC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione?
The InChIKey is ICUVIIQIHBDGJG-QNLPTKCRSA-N. The full InChI is InChI=1S/C33H31NO3/c1-24(25-19-21-29(37-3)22-20-25)32(2)23-30(35)34(31(32)36)33(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,24H,23H2,1-3H3/t24-,32+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione?
(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione has a molecular weight of 489.62 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione is sourced from PubChem (CID 140944865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).