1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione

C51H58N2O4 — CID 58288572

IUPAC1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione
SMILESCC(CC(CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C51H58N2O4/c1-35(37-18-10-6-11-19-37)28-41(39-22-14-8-15-23-39)29-42(40-24-16-9-17-25-40)30-44-47(36(2)38-20-12-7-13-21-38)49(57)52(48(44)56)34-51(5)32-43(31-50(3,4)33-51)53-45(54)26-27-46(53)55/h6-27,35-36,41-44,47H,28-34H2,1-5H3
InChIKeyQXCMWQTYTUGHQY-UHFFFAOYSA-N
MW763.04 g/mol
LogP10.44
Rot. Bonds14

About 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione

1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione (PubChem CID 58288572) has the molecular formula C51H58N2O4 and a molecular weight of 763.04 g/mol. Its IUPAC name is 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione
PubChem CID58288572
Molecular FormulaC51H58N2O4
Molecular Weight763.04 g/mol
Exact Mass762.44
IUPAC Name1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione
SMILESCC(CC(CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C51H58N2O4/c1-35(37-18-10-6-11-19-37)28-41(39-22-14-8-15-23-39)29-42(40-24-16-9-17-25-40)30-44-47(36(2)38-20-12-7-13-21-38)49(57)52(48(44)56)34-51(5)32-43(31-50(3,4)33-51)53-45(54)26-27-46(53)55/h6-27,35-36,41-44,47H,28-34H2,1-5H3
InChIKeyQXCMWQTYTUGHQY-UHFFFAOYSA-N
XLogP10.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.04
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione (CID 58288572) is 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione is CC(CC(CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione?
The InChIKey is QXCMWQTYTUGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N2O4/c1-35(37-18-10-6-11-19-37)28-41(39-22-14-8-15-23-39)29-42(40-24-16-9-17-25-40)30-44-47(36(2)38-20-12-7-13-21-38)49(57)52(48(44)56)34-51(5)32-43(31-50(3,4)33-51)53-45(54)26-27-46(53)55/h6-27,35-36,41-44,47H,28-34H2,1-5H3.
What are the key properties of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione?
1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione has a molecular weight of 763.04 g/mol, XLogP of 10.44, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(1-phenylethyl)-4-(2,4,6-triphenylheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58288572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).