N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

C20H23F3N2O3 — CID 78845785

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCOc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O3/c1-24(13-16-6-4-5-7-18(16)28-20(21,22)23)14-19(26)25(2)12-15-8-10-17(27-3)11-9-15/h4-11H,12-14H2,1-3H3
InChIKeyNFYWYEZBEDLVKJ-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.68
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (PubChem CID 78845785) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
PubChem CID78845785
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCOc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O3/c1-24(13-16-6-4-5-7-18(16)28-20(21,22)23)14-19(26)25(2)12-15-8-10-17(27-3)11-9-15/h4-11H,12-14H2,1-3H3
InChIKeyNFYWYEZBEDLVKJ-UHFFFAOYSA-N
XLogP3.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]amino]acetamide
CID 32540434
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 27073013
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (CID 78845785) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is COc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The InChIKey is NFYWYEZBEDLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-24(13-16-6-4-5-7-18(16)28-20(21,22)23)14-19(26)25(2)12-15-8-10-17(27-3)11-9-15/h4-11H,12-14H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 78845785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).