2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide

C26H27FN2O4 — CID 133238329

IUPAC2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(NCCCO)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C26H27FN2O4/c27-22-14-12-20(13-15-22)18-29(24(31)19-33-23-10-5-2-6-11-23)25(21-8-3-1-4-9-21)26(32)28-16-7-17-30/h1-6,8-15,25,30H,7,16-19H2,(H,28,32)
InChIKeySYOHOSSYEICAHM-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.47
Rot. Bonds11

About 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide (PubChem CID 133238329) has the molecular formula C26H27FN2O4 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
PubChem CID133238329
Molecular FormulaC26H27FN2O4
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(NCCCO)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C26H27FN2O4/c27-22-14-12-20(13-15-22)18-29(24(31)19-33-23-10-5-2-6-11-23)25(21-8-3-1-4-9-21)26(32)28-16-7-17-30/h1-6,8-15,25,30H,7,16-19H2,(H,28,32)
InChIKeySYOHOSSYEICAHM-UHFFFAOYSA-N
XLogP3.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133237228
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methoxypropyl)-2-phenylacetamide
CID 133238331
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238348
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 133238351
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133236162
2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214190
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133213190
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133149631
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133148647

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide (CID 133238329) is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide is O=C(NCCCO)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
The InChIKey is SYOHOSSYEICAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4/c27-22-14-12-20(13-15-22)18-29(24(31)19-33-23-10-5-2-6-11-23)25(21-8-3-1-4-9-21)26(32)28-16-7-17-30/h1-6,8-15,25,30H,7,16-19H2,(H,28,32).
What are the key properties of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide has a molecular weight of 450.51 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide is sourced from PubChem (CID 133238329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).