2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone

C22H26F2N2O4 — CID 42895204

IUPAC2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1cc(CN(C)C(C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C22H26F2N2O4/c1-25(15-16-8-9-18(30-22(23)24)19(14-16)28-2)20(17-6-4-3-5-7-17)21(27)26-10-12-29-13-11-26/h3-9,14,20,22H,10-13,15H2,1-2H3
InChIKeyXEEGLZVGWXNSCL-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.33
Rot. Bonds8

About 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 42895204) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
PubChem CID42895204
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1cc(CN(C)C(C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C22H26F2N2O4/c1-25(15-16-8-9-18(30-22(23)24)19(14-16)28-2)20(17-6-4-3-5-7-17)21(27)26-10-12-29-13-11-26/h3-9,14,20,22H,10-13,15H2,1-2H3
InChIKeyXEEGLZVGWXNSCL-UHFFFAOYSA-N
XLogP3.33
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 39973215
N-methyl-4-[[methyl-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9125046
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 40855767
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 51981788
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-ethylamino]acetic acid
CID 61012005
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone (CID 42895204) is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone is COc1cc(CN(C)C(C(=O)N2CCOCC2)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is XEEGLZVGWXNSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-25(15-16-8-9-18(30-22(23)24)19(14-16)28-2)20(17-6-4-3-5-7-17)21(27)26-10-12-29-13-11-26/h3-9,14,20,22H,10-13,15H2,1-2H3.
What are the key properties of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone?
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 420.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 42895204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).