N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C19H20F3NO4 — CID 11794349

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C19H20F3NO4/c1-26-16-8-5-14(11-17(16)27-2)12-23(18(25)19(20,21)22)10-9-13-3-6-15(24)7-4-13/h3-8,11,24H,9-10,12H2,1-2H3
InChIKeyCVCQFCUFDRRQQK-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.54
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 11794349) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID11794349
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1OC
InChIInChI=1S/C19H20F3NO4/c1-26-16-8-5-14(11-17(16)27-2)12-23(18(25)19(20,21)22)10-9-13-3-6-15(24)7-4-13/h3-8,11,24H,9-10,12H2,1-2H3
InChIKeyCVCQFCUFDRRQQK-UHFFFAOYSA-N
XLogP3.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 11794349) is N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is COc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is CVCQFCUFDRRQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-26-16-8-5-14(11-17(16)27-2)12-23(18(25)19(20,21)22)10-9-13-3-6-15(24)7-4-13/h3-8,11,24H,9-10,12H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 11794349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).