N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide

C33H46FN3O4 — CID 10327003

IUPACN-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)cc1
InChIInChI=1S/C33H46FN3O4/c1-4-22-40-30-12-8-27(9-13-30)23-32(38)36(21-14-26-6-10-28(34)11-7-26)29-15-19-35(20-16-29)17-5-18-37-31(25(2)3)24-41-33(37)39/h6-13,25,29,31H,4-5,14-24H2,1-3H3/t31-/m1/s1
InChIKeyDCJBTTAZPJCPEN-WJOKGBTCSA-N
MW567.75 g/mol
LogP5.56
Rot. Bonds14

About N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide

N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide (PubChem CID 10327003) has the molecular formula C33H46FN3O4 and a molecular weight of 567.75 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide
PubChem CID10327003
Molecular FormulaC33H46FN3O4
Molecular Weight567.75 g/mol
Exact Mass567.35
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)cc1
InChIInChI=1S/C33H46FN3O4/c1-4-22-40-30-12-8-27(9-13-30)23-32(38)36(21-14-26-6-10-28(34)11-7-26)29-15-19-35(20-16-29)17-5-18-37-31(25(2)3)24-41-33(37)39/h6-13,25,29,31H,4-5,14-24H2,1-3H3/t31-/m1/s1
InChIKeyDCJBTTAZPJCPEN-WJOKGBTCSA-N
XLogP5.56
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.75
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide 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 N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide (CID 10327003) is N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide is CCCOc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide?
The InChIKey is DCJBTTAZPJCPEN-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H46FN3O4/c1-4-22-40-30-12-8-27(9-13-30)23-32(38)36(21-14-26-6-10-28(34)11-7-26)29-15-19-35(20-16-29)17-5-18-37-31(25(2)3)24-41-33(37)39/h6-13,25,29,31H,4-5,14-24H2,1-3H3/t31-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide has a molecular weight of 567.75 g/mol, XLogP of 5.56, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]-2-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 10327003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).