4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide

C20H22F3NO4 — CID 37039708

IUPAC4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO4/c1-2-26-17-6-3-4-7-18(17)27-13-5-8-19(25)24-14-15-9-11-16(12-10-15)28-20(21,22)23/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,24,25)
InChIKeyQCXFOIFGEHSYPK-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.46
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide

4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide (PubChem CID 37039708) has the molecular formula C20H22F3NO4 and a molecular weight of 397.39 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
PubChem CID37039708
Molecular FormulaC20H22F3NO4
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO4/c1-2-26-17-6-3-4-7-18(17)27-13-5-8-19(25)24-14-15-9-11-16(12-10-15)28-20(21,22)23/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,24,25)
InChIKeyQCXFOIFGEHSYPK-UHFFFAOYSA-N
XLogP4.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

NE 21610
CID 6441194
3-cyclopentyloxy-4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137660863
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
CID 102235522
N-{(acetylamino)[3-methoxy-4-(phenylmethoxy)phenyl]methyl}acetamide
CID 693353
2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide
CID 2188594
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2402432
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethoxybenzamide
CID 2877899
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-(4-methoxybenzyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2896655
N-benzyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]ethanediamide
CID 3102469

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide (CID 37039708) is 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide is CCOc1ccccc1OCCCC(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is QCXFOIFGEHSYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO4/c1-2-26-17-6-3-4-7-18(17)27-13-5-8-19(25)24-14-15-9-11-16(12-10-15)28-20(21,22)23/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3,(H,24,25).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 397.39 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 37039708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).