1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione

C20H28N2O4 — CID 2972070

IUPAC1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(CCNC2CC(=O)N(C3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-16-13-19(23)22(20(16)24)15-6-4-3-5-7-15/h8-9,12,15-16,21H,3-7,10-11,13H2,1-2H3
InChIKeyKMXOZOATZUOPPQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.30
Rot. Bonds7

About 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione

1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 2972070) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione
PubChem CID2972070
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(CCNC2CC(=O)N(C3CCCCC3)C2=O)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-16-13-19(23)22(20(16)24)15-6-4-3-5-7-15/h8-9,12,15-16,21H,3-7,10-11,13H2,1-2H3
InChIKeyKMXOZOATZUOPPQ-UHFFFAOYSA-N
XLogP2.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione (CID 2972070) is 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione is COc1ccc(CCNC2CC(=O)N(C3CCCCC3)C2=O)cc1OC.
What is the InChIKey of 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is KMXOZOATZUOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-9-8-14(12-18(17)26-2)10-11-21-16-13-19(23)22(20(16)24)15-6-4-3-5-7-15/h8-9,12,15-16,21H,3-7,10-11,13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione?
1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 360.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2972070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).