4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide

C19H20F3NO3 — CID 24584159

IUPAC4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCc1cccc(OCCCC(=O)NCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO3/c1-14-4-2-5-17(12-14)25-11-3-6-18(24)23-13-15-7-9-16(10-8-15)26-19(20,21)22/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,23,24)
InChIKeyDSQRSKUTZQNVEB-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.37
Rot. Bonds8

About 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide

4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide (PubChem CID 24584159) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
PubChem CID24584159
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESCc1cccc(OCCCC(=O)NCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO3/c1-14-4-2-5-17(12-14)25-11-3-6-18(24)23-13-15-7-9-16(10-8-15)26-19(20,21)22/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,23,24)
InChIKeyDSQRSKUTZQNVEB-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.37
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

4-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)butanamide
CID 78786017
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-(3-methylphenoxy)butanamide
CID 55797246
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
CID 56552060
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide (CID 24584159) is 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide is Cc1cccc(OCCCC(=O)NCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is DSQRSKUTZQNVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-14-4-2-5-17(12-14)25-11-3-6-18(24)23-13-15-7-9-16(10-8-15)26-19(20,21)22/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,23,24).
What are the key properties of 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide?
4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 367.37 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 24584159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).