2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

C23H27FN2O5 — CID 4788548

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H27FN2O5/c1-16(27)18-5-8-21(22(13-18)29-2)31-15-23(28)25-14-20(26-9-11-30-12-10-26)17-3-6-19(24)7-4-17/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyRNENVOAMNZPCTB-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.61
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 4788548) has the molecular formula C23H27FN2O5 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID4788548
Molecular FormulaC23H27FN2O5
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H27FN2O5/c1-16(27)18-5-8-21(22(13-18)29-2)31-15-23(28)25-14-20(26-9-11-30-12-10-26)17-3-6-19(24)7-4-17/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyRNENVOAMNZPCTB-UHFFFAOYSA-N
XLogP2.61
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (CID 4788548) is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is RNENVOAMNZPCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5/c1-16(27)18-5-8-21(22(13-18)29-2)31-15-23(28)25-14-20(26-9-11-30-12-10-26)17-3-6-19(24)7-4-17/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 4788548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).