[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone

C20H23NO4 — CID 93327745

IUPAC[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(OC[C@H]2CN(C(=O)c3ccc(C)cc3)CCO2)c1
InChIInChI=1S/C20H23NO4/c1-15-6-8-16(9-7-15)20(22)21-10-11-24-19(13-21)14-25-18-5-3-4-17(12-18)23-2/h3-9,12,19H,10-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyBAGIYPDDNQQVHG-LJQANCHMSA-N
MW341.41 g/mol
LogP2.92
Rot. Bonds5

About [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone

[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone (PubChem CID 93327745) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
PubChem CID93327745
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
SMILESCOc1cccc(OC[C@H]2CN(C(=O)c3ccc(C)cc3)CCO2)c1
InChIInChI=1S/C20H23NO4/c1-15-6-8-16(9-7-15)20(22)21-10-11-24-19(13-21)14-25-18-5-3-4-17(12-18)23-2/h3-9,12,19H,10-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyBAGIYPDDNQQVHG-LJQANCHMSA-N
XLogP2.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92761333
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone (CID 93327745) is [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone is COc1cccc(OC[C@H]2CN(C(=O)c3ccc(C)cc3)CCO2)c1.
What is the InChIKey of [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is BAGIYPDDNQQVHG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-6-8-16(9-7-15)20(22)21-10-11-24-19(13-21)14-25-18-5-3-4-17(12-18)23-2/h3-9,12,19H,10-11,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone?
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 93327745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).