N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide

C16H22F3NO3 — CID 112765286

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC
InChIInChI=1S/C16H22F3NO3/c1-4-5-11(2)15(21)20-13-10-12(16(17,18)19)6-7-14(13)23-9-8-22-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyKFBAYBUFNQUSKP-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.11
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide (PubChem CID 112765286) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
PubChem CID112765286
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC
InChIInChI=1S/C16H22F3NO3/c1-4-5-11(2)15(21)20-13-10-12(16(17,18)19)6-7-14(13)23-9-8-22-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyKFBAYBUFNQUSKP-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
CID 112811006
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55360342
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55811519
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide (CID 112765286) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
The InChIKey is KFBAYBUFNQUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-4-5-11(2)15(21)20-13-10-12(16(17,18)19)6-7-14(13)23-9-8-22-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide has a molecular weight of 333.35 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 112765286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).