N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide

C27H33FN2O5 — CID 132780261

IUPACN-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(COc2ccc(F)cc2)CN(C(=O)C2CCOCC2)CCO1
InChIInChI=1S/C27H33FN2O5/c1-29(18-21-5-3-2-4-6-21)25(31)17-27(20-34-24-9-7-23(28)8-10-24)19-30(13-16-35-27)26(32)22-11-14-33-15-12-22/h2-10,22H,11-20H2,1H3
InChIKeyQLHZTVZIJZRMRA-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.28
Rot. Bonds8

About N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide

N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide (PubChem CID 132780261) has the molecular formula C27H33FN2O5 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide
PubChem CID132780261
Molecular FormulaC27H33FN2O5
Molecular Weight484.57 g/mol
Exact Mass484.24
IUPAC NameN-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(COc2ccc(F)cc2)CN(C(=O)C2CCOCC2)CCO1
InChIInChI=1S/C27H33FN2O5/c1-29(18-21-5-3-2-4-6-21)25(31)17-27(20-34-24-9-7-23(28)8-10-24)19-30(13-16-35-27)26(32)22-11-14-33-15-12-22/h2-10,22H,11-20H2,1H3
InChIKeyQLHZTVZIJZRMRA-UHFFFAOYSA-N
XLogP3.28
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide
CID 132781040
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-(4,4-difluorocyclohexanecarbonyl)piperidin-3-yl]-N-methylacetamide
CID 110079046
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
2-[2-[(4-fluorophenoxy)methyl]-4-[(3-hydroxyphenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132772645
4-(2-fluorophenoxy)-1-[2-[(4-fluorophenoxy)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)morpholin-4-yl]butan-1-one
CID 132774097
N-benzyl-2-[2-[(4-chloro-3-methylphenoxy)methyl]-4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]-N-methylacetamide
CID 132769688
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridine-2-carbonyl)morpholin-2-yl]acetamide
CID 132771130
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
N-benzyl-2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-N-methylacetamide
CID 124971784
2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
CID 132765746
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridin-3-ylmethyl)morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110082173
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide (CID 132780261) is N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CC1(COc2ccc(F)cc2)CN(C(=O)C2CCOCC2)CCO1.
What is the InChIKey of N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide?
The InChIKey is QLHZTVZIJZRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O5/c1-29(18-21-5-3-2-4-6-21)25(31)17-27(20-34-24-9-7-23(28)8-10-24)19-30(13-16-35-27)26(32)22-11-14-33-15-12-22/h2-10,22H,11-20H2,1H3.
What are the key properties of N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide?
N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide has a molecular weight of 484.57 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(4-fluorophenoxy)methyl]-4-(oxane-4-carbonyl)morpholin-2-yl]-N-methylacetamide is sourced from PubChem (CID 132780261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).