2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone

C28H35ClN2O6 — CID 132774191

IUPAC2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
SMILESCC(C)COc1ccc(C(=O)N2CCOC(COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C28H35ClN2O6/c1-21(2)18-35-24-8-6-22(7-9-24)27(33)31-12-15-37-28(19-31,17-26(32)30-10-13-34-14-11-30)20-36-25-5-3-4-23(29)16-25/h3-9,16,21H,10-15,17-20H2,1-2H3
InChIKeyWFXASFUESWIBRV-UHFFFAOYSA-N
MW531.05 g/mol
LogP3.91
Rot. Bonds9

About 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone

2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 132774191) has the molecular formula C28H35ClN2O6 and a molecular weight of 531.05 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
PubChem CID132774191
Molecular FormulaC28H35ClN2O6
Molecular Weight531.05 g/mol
Exact Mass530.22
IUPAC Name2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
SMILESCC(C)COc1ccc(C(=O)N2CCOC(COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C28H35ClN2O6/c1-21(2)18-35-24-8-6-22(7-9-24)27(33)31-12-15-37-28(19-31,17-26(32)30-10-13-34-14-11-30)20-36-25-5-3-4-23(29)16-25/h3-9,16,21H,10-15,17-20H2,1-2H3
InChIKeyWFXASFUESWIBRV-UHFFFAOYSA-N
XLogP3.91
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.05
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[2-[(3-chlorophenoxy)methyl]-4-[4-(dimethylamino)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132780544
2-[2-[(3-chlorophenoxy)methyl]-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773124
2-[4-(1,3-benzodioxole-5-carbonyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773928
2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081344
2-[(2R)-4-(3-chlorobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124957656
2-[(2S)-4-(4-tert-butylbenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125008068
2-[(2R)-4-(4-tert-butylbenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125008067
1-[(2R)-2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 124975511
2-[4-benzoyl-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 132767864
2-[4-(2-bromobenzoyl)-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081338
1-[2-[(3-chlorophenoxy)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)morpholin-4-yl]pentan-1-one
CID 110081354
2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone (CID 132774191) is 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone is CC(C)COc1ccc(C(=O)N2CCOC(COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is WFXASFUESWIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O6/c1-21(2)18-35-24-8-6-22(7-9-24)27(33)31-12-15-37-28(19-31,17-26(32)30-10-13-34-14-11-30)20-36-25-5-3-4-23(29)16-25/h3-9,16,21H,10-15,17-20H2,1-2H3.
What are the key properties of 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone?
2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 531.05 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenoxy)methyl]-4-[4-(2-methylpropoxy)benzoyl]morpholin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 132774191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).