4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one

C27H32F2N2O6 — CID 132774097

IUPAC4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one
SMILESO=C(CC1(COc2ccc(F)cc2)CN(C(=O)CCCOc2ccccc2F)CCO1)N1CCOCC1
InChIInChI=1S/C27H32F2N2O6/c28-21-7-9-22(10-8-21)36-20-27(18-26(33)30-11-15-34-16-12-30)19-31(13-17-37-27)25(32)6-3-14-35-24-5-2-1-4-23(24)29/h1-2,4-5,7-10H,3,6,11-20H2
InChIKeyGOHDXZLZPWCYFI-UHFFFAOYSA-N
MW518.56 g/mol
LogP3.05
Rot. Bonds10

About 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one

4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one (PubChem CID 132774097) has the molecular formula C27H32F2N2O6 and a molecular weight of 518.56 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one
PubChem CID132774097
Molecular FormulaC27H32F2N2O6
Molecular Weight518.56 g/mol
Exact Mass518.22
IUPAC Name4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one
SMILESO=C(CC1(COc2ccc(F)cc2)CN(C(=O)CCCOc2ccccc2F)CCO1)N1CCOCC1
InChIInChI=1S/C27H32F2N2O6/c28-21-7-9-22(10-8-21)36-20-27(18-26(33)30-11-15-34-16-12-30)19-31(13-17-37-27)25(32)6-3-14-35-24-5-2-1-4-23(24)29/h1-2,4-5,7-10H,3,6,11-20H2
InChIKeyGOHDXZLZPWCYFI-UHFFFAOYSA-N
XLogP3.05
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.56
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(4-chloro-3-methylphenoxy)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholin-4-yl]-4-(2-fluorophenoxy)butan-1-one
CID 132769468
2-[2-[(4-fluorophenoxy)methyl]-4-[(3-hydroxyphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132772645
2-[2-[(4-chlorophenoxy)methyl]-4-[(2,5-difluorophenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773624
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080455
2-(4-morpholin-4-yl-4-oxobutoxy)benzoic acid
CID 43214310
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridine-2-carbonyl)morpholin-2-yl]acetamide
CID 132771130
1-[2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]pentan-1-one
CID 110081354
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
3-fluoro-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258328
2-[2-[(4-fluorophenoxy)methyl]-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110082161
1-[2-[(3-chlorophenoxy)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholin-4-yl]pentan-1-one
CID 110081323

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one (CID 132774097) is 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one is O=C(CC1(COc2ccc(F)cc2)CN(C(=O)CCCOc2ccccc2F)CCO1)N1CCOCC1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one?
The InChIKey is GOHDXZLZPWCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N2O6/c28-21-7-9-22(10-8-21)36-20-27(18-26(33)30-11-15-34-16-12-30)19-31(13-17-37-27)25(32)6-3-14-35-24-5-2-1-4-23(24)29/h1-2,4-5,7-10H,3,6,11-20H2.
What are the key properties of 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one?
4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one has a molecular weight of 518.56 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 132774097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).