2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C14H18F3NO3 — CID 103601917

IUPAC2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOCCOCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-18(13(19)10-21-8-7-20-2)9-11-3-5-12(6-4-11)14(15,16)17/h3-6H,7-10H2,1-2H3
InChIKeyOSSNGANVWOPDNN-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.33
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 103601917) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID103601917
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOCCOCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-18(13(19)10-21-8-7-20-2)9-11-3-5-12(6-4-11)14(15,16)17/h3-6H,7-10H2,1-2H3
InChIKeyOSSNGANVWOPDNN-UHFFFAOYSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
2-[[2-(2-methoxyethoxy)acetyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197080
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
2-(2-methoxyethoxy)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 103601960
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758
5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26619560
N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
CID 70976882

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 103601917) is 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is COCCOCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is OSSNGANVWOPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-18(13(19)10-21-8-7-20-2)9-11-3-5-12(6-4-11)14(15,16)17/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 103601917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).