N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide

C15H18F3NO3 — CID 171652309

IUPACN-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESC=Cc1cc(OC)c(CC(C)NC(=O)C(F)(F)F)c(OC)c1
InChIInChI=1S/C15H18F3NO3/c1-5-10-7-12(21-3)11(13(8-10)22-4)6-9(2)19-14(20)15(16,17)18/h5,7-9H,1,6H2,2-4H3,(H,19,20)
InChIKeyKCFWOPCOKOINHT-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.96
Rot. Bonds6

About N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide

N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 171652309) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID171652309
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESC=Cc1cc(OC)c(CC(C)NC(=O)C(F)(F)F)c(OC)c1
InChIInChI=1S/C15H18F3NO3/c1-5-10-7-12(21-3)11(13(8-10)22-4)6-9(2)19-14(20)15(16,17)18/h5,7-9H,1,6H2,2-4H3,(H,19,20)
InChIKeyKCFWOPCOKOINHT-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2R)-1-(4-formyl-2,5-dimethoxyphenyl)propan-2-yl]acetamide
CID 58838534
N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide
CID 90952710
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
CID 91727190
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2,2,2-trifluoro-N-[(1S)-1-(4-formyl-3-methoxyphenyl)ethyl]acetamide
CID 118337551
2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 586542
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
2,2,2-trifluoro-N-[(2S)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10639049
2,2,2-trifluoro-N-[(2R)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10543332
2,2,2-trifluoro-N-[4-fluoro-2-(fluoromethyl)-3-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]acetamide
CID 146238280
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide (CID 171652309) is N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide is C=Cc1cc(OC)c(CC(C)NC(=O)C(F)(F)F)c(OC)c1.
What is the InChIKey of N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is KCFWOPCOKOINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-5-10-7-12(21-3)11(13(8-10)22-4)6-9(2)19-14(20)15(16,17)18/h5,7-9H,1,6H2,2-4H3,(H,19,20).
What are the key properties of N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 317.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethenyl-2,6-dimethoxyphenyl)propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171652309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).