2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H21F3N2O4 — CID 2698960

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C19H21F3N2O4/c1-24(11-13-4-7-16(26-2)10-17(13)27-3)12-18(25)23-14-5-8-15(9-6-14)28-19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyGCLPLLUUPWFPSE-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.67
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2698960) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2698960
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C19H21F3N2O4/c1-24(11-13-4-7-16(26-2)10-17(13)27-3)12-18(25)23-14-5-8-15(9-6-14)28-19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeyGCLPLLUUPWFPSE-UHFFFAOYSA-N
XLogP3.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
CID 142401642
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26308531

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2698960) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GCLPLLUUPWFPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-24(11-13-4-7-16(26-2)10-17(13)27-3)12-18(25)23-14-5-8-15(9-6-14)28-19(20,21)22/h4-10H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 398.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2698960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).