N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide

C21H27FN2O4 — CID 45182402

IUPACN-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CC1(c2ccccc2F)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C21H27FN2O4/c1-5-23(14-15(2)3)18(25)12-21(16-8-6-7-9-17(16)22)13-19(26)24(20(21)27)10-11-28-4/h6-9H,2,5,10-14H2,1,3-4H3
InChIKeyDYABLEHDGXDGPM-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.28
Rot. Bonds9

About N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 45182402) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID45182402
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC NameN-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CC1(c2ccccc2F)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C21H27FN2O4/c1-5-23(14-15(2)3)18(25)12-21(16-8-6-7-9-17(16)22)13-19(26)24(20(21)27)10-11-28-4/h6-9H,2,5,10-14H2,1,3-4H3
InChIKeyDYABLEHDGXDGPM-UHFFFAOYSA-N
XLogP2.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide (CID 45182402) is N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CC1(c2ccccc2F)CC(=O)N(CCOC)C1=O.
What is the InChIKey of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is DYABLEHDGXDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-5-23(14-15(2)3)18(25)12-21(16-8-6-7-9-17(16)22)13-19(26)24(20(21)27)10-11-28-4/h6-9H,2,5,10-14H2,1,3-4H3.
What are the key properties of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 45182402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).