N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C20H22F3NO4 — CID 20968994

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccccc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C20H22F3NO4/c1-26-16-10-13(11-17(27-2)19(16)28-3)8-9-18(25)24-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,25)
InChIKeyYOPWAIWEWRDNBJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.98
Rot. Bonds8

About N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 20968994) has the molecular formula C20H22F3NO4 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID20968994
Molecular FormulaC20H22F3NO4
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccccc2C(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C20H22F3NO4/c1-26-16-10-13(11-17(27-2)19(16)28-3)8-9-18(25)24-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,25)
InChIKeyYOPWAIWEWRDNBJ-UHFFFAOYSA-N
XLogP3.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55843576
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 20968994) is N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2ccccc2C(F)(F)F)cc(OC)c1OC.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is YOPWAIWEWRDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO4/c1-26-16-10-13(11-17(27-2)19(16)28-3)8-9-18(25)24-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,25).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 397.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 20968994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).