2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide

C15H18F3NO3 — CID 17393273

IUPAC2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC/C=C/c1ccc(OC(C)C(=O)NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C15H18F3NO3/c1-4-5-11-6-7-12(13(8-11)21-3)22-10(2)14(20)19-9-15(16,17)18/h4-8,10H,9H2,1-3H3,(H,19,20)/b5-4+
InChIKeyUHLUTPCMNCDIPE-SNAWJCMRSA-N
MW317.31 g/mol
LogP3.17
Rot. Bonds6

About 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 17393273) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID17393273
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC/C=C/c1ccc(OC(C)C(=O)NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C15H18F3NO3/c1-4-5-11-6-7-12(13(8-11)21-3)22-10(2)14(20)19-9-15(16,17)18/h4-8,10H,9H2,1-3H3,(H,19,20)/b5-4+
InChIKeyUHLUTPCMNCDIPE-SNAWJCMRSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43112242
(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 76946776

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide (CID 17393273) is 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide is C/C=C/c1ccc(OC(C)C(=O)NCC(F)(F)F)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UHLUTPCMNCDIPE-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-4-5-11-6-7-12(13(8-11)21-3)22-10(2)14(20)19-9-15(16,17)18/h4-8,10H,9H2,1-3H3,(H,19,20)/b5-4+.
What are the key properties of 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 317.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 17393273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).