[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C22H24FNO4 — CID 3453974

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-16(2)24(14-17-6-4-3-5-7-17)21(26)15-28-22(27)13-12-20(25)18-8-10-19(23)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyBRPOHPGDFQIPIX-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.77
Rot. Bonds9

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 3453974) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID3453974
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-16(2)24(14-17-6-4-3-5-7-17)21(26)15-28-22(27)13-12-20(25)18-8-10-19(23)11-9-18/h3-11,16H,12-15H2,1-2H3
InChIKeyBRPOHPGDFQIPIX-UHFFFAOYSA-N
XLogP3.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 3453974) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is BRPOHPGDFQIPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-16(2)24(14-17-6-4-3-5-7-17)21(26)15-28-22(27)13-12-20(25)18-8-10-19(23)11-9-18/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 385.44 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 3453974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).