N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide

C30H33ClN2O6 — CID 132781040

IUPACN-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide
SMILESCOc1cccc(OCC(=O)N2CCOC(COc3ccc(Cl)cc3)(CC(=O)N(C)Cc3ccccc3)C2)c1
InChIInChI=1S/C30H33ClN2O6/c1-32(19-23-7-4-3-5-8-23)28(34)18-30(22-38-25-13-11-24(31)12-14-25)21-33(15-16-39-30)29(35)20-37-27-10-6-9-26(17-27)36-2/h3-14,17H,15-16,18-22H2,1-2H3
InChIKeyBYDVNHMBKBZXJL-UHFFFAOYSA-N
MW553.06 g/mol
LogP4.45
Rot. Bonds11

About N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide

N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide (PubChem CID 132781040) has the molecular formula C30H33ClN2O6 and a molecular weight of 553.06 g/mol. Its IUPAC name is N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide
PubChem CID132781040
Molecular FormulaC30H33ClN2O6
Molecular Weight553.06 g/mol
Exact Mass552.20
IUPAC NameN-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide
SMILESCOc1cccc(OCC(=O)N2CCOC(COc3ccc(Cl)cc3)(CC(=O)N(C)Cc3ccccc3)C2)c1
InChIInChI=1S/C30H33ClN2O6/c1-32(19-23-7-4-3-5-8-23)28(34)18-30(22-38-25-13-11-24(31)12-14-25)21-33(15-16-39-30)29(35)20-37-27-10-6-9-26(17-27)36-2/h3-14,17H,15-16,18-22H2,1-2H3
InChIKeyBYDVNHMBKBZXJL-UHFFFAOYSA-N
XLogP4.45
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.06
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
2-[2-[(4-chloro-3-methylphenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 132769326
N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide
CID 132780261
N-benzyl-2-[2-[(4-chloro-3-methylphenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]-N-methylacetamide
CID 132769688
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]-N-methylacetamide
CID 124963710
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
CID 132772464
N-benzyl-2-[1-(3-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 110081174
N-benzyl-2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]-N-methylacetamide
CID 124999550
2-[2-[(4-chloro-3-methylphenoxy)methyl]-4-[2-(2-methylphenoxy)acetyl]morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 132769134
N-benzyl-2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(3-fluoro-4-methylbenzoyl)piperidin-3-yl]-N-methylacetamide
CID 125010566
2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032
2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081344

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide (CID 132781040) is N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide is COc1cccc(OCC(=O)N2CCOC(COc3ccc(Cl)cc3)(CC(=O)N(C)Cc3ccccc3)C2)c1.
What is the InChIKey of N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide?
The InChIKey is BYDVNHMBKBZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O6/c1-32(19-23-7-4-3-5-8-23)28(34)18-30(22-38-25-13-11-24(31)12-14-25)21-33(15-16-39-30)29(35)20-37-27-10-6-9-26(17-27)36-2/h3-14,17H,15-16,18-22H2,1-2H3.
What are the key properties of N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide?
N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide has a molecular weight of 553.06 g/mol, XLogP of 4.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide is sourced from PubChem (CID 132781040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).