1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione

C30H34N2O6 — CID 118894968

IUPAC1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(COCc2ccccc2)C(=O)N1C1CCCCC1N1C(=O)CC(OCCc2ccccc2)C1=O
InChIInChI=1S/C30H34N2O6/c33-27-17-23(20-37-19-22-11-5-2-6-12-22)29(35)31(27)24-13-7-8-14-25(24)32-28(34)18-26(30(32)36)38-16-15-21-9-3-1-4-10-21/h1-6,9-12,23-26H,7-8,13-20H2
InChIKeyXUDLIJDSPASMGQ-UHFFFAOYSA-N
MW518.61 g/mol
LogP3.28
Rot. Bonds10

About 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione

1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione (PubChem CID 118894968) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione
PubChem CID118894968
Molecular FormulaC30H34N2O6
Molecular Weight518.61 g/mol
Exact Mass518.24
IUPAC Name1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(COCc2ccccc2)C(=O)N1C1CCCCC1N1C(=O)CC(OCCc2ccccc2)C1=O
InChIInChI=1S/C30H34N2O6/c33-27-17-23(20-37-19-22-11-5-2-6-12-22)29(35)31(27)24-13-7-8-14-25(24)32-28(34)18-26(30(32)36)38-16-15-21-9-3-1-4-10-21/h1-6,9-12,23-26H,7-8,13-20H2
InChIKeyXUDLIJDSPASMGQ-UHFFFAOYSA-N
XLogP3.28
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
CID 118531814
(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
CID 118531813
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
(4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-one
CID 102444690
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
2-phenylmethoxy-5-(phenylmethoxymethyl)cyclohexan-1-one
CID 141134991
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
2-cyclobutyloxyethylbenzene
CID 54003575
(5S)-N-benzyl-1-cyclopentyl-3,6-dioxo-5-(phenylmethoxymethyl)piperazine-2-carboxamide
CID 46830330
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione (CID 118894968) is 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione is O=C1CC(COCc2ccccc2)C(=O)N1C1CCCCC1N1C(=O)CC(OCCc2ccccc2)C1=O.
What is the InChIKey of 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione?
The InChIKey is XUDLIJDSPASMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6/c33-27-17-23(20-37-19-22-11-5-2-6-12-22)29(35)31(27)24-13-7-8-14-25(24)32-28(34)18-26(30(32)36)38-16-15-21-9-3-1-4-10-21/h1-6,9-12,23-26H,7-8,13-20H2.
What are the key properties of 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione?
1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione has a molecular weight of 518.61 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,5-dioxo-3-(2-phenylethoxy)pyrrolidin-1-yl]cyclohexyl]-3-(phenylmethoxymethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118894968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).