2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C22H25F3N2O4 — CID 29403471

IUPAC2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCOc1ccccc1OCC(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H25F3N2O4/c1-3-11-27(13-19(28)26-16-10-9-15(23)21(24)22(16)25)20(29)14-31-18-8-6-5-7-17(18)30-12-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,26,28)
InChIKeyMZKMUGVBTKKRGP-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.15
Rot. Bonds11

About 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 29403471) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID29403471
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC Name2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCOc1ccccc1OCC(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H25F3N2O4/c1-3-11-27(13-19(28)26-16-10-9-15(23)21(24)22(16)25)20(29)14-31-18-8-6-5-7-17(18)30-12-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,26,28)
InChIKeyMZKMUGVBTKKRGP-UHFFFAOYSA-N
XLogP4.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26730530
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 55437591
2-[[2-(2-ethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 55327341
2-[[2-(2-formylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 24520865
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 26358946
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 29403471) is 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCOc1ccccc1OCC(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is MZKMUGVBTKKRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c1-3-11-27(13-19(28)26-16-10-9-15(23)21(24)22(16)25)20(29)14-31-18-8-6-5-7-17(18)30-12-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,26,28).
What are the key properties of 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 438.45 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 29403471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).