2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide

C26H28N2O4 — CID 133237228

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(NCCCO)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C26H28N2O4/c29-18-10-17-27-26(31)25(22-13-6-2-7-14-22)28(19-21-11-4-1-5-12-21)24(30)20-32-23-15-8-3-9-16-23/h1-9,11-16,25,29H,10,17-20H2,(H,27,31)
InChIKeyFQRUDILVCPZIIG-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.33
Rot. Bonds11

About 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide

2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide (PubChem CID 133237228) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
PubChem CID133237228
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(NCCCO)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C26H28N2O4/c29-18-10-17-27-26(31)25(22-13-6-2-7-14-22)28(19-21-11-4-1-5-12-21)24(30)20-32-23-15-8-3-9-16-23/h1-9,11-16,25,29H,10,17-20H2,(H,27,31)
InChIKeyFQRUDILVCPZIIG-UHFFFAOYSA-N
XLogP3.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.33
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-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133238329
2-[benzyl-(2-phenoxyacetyl)amino]-N-pentyl-2-phenylacetamide
CID 133237249
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214190
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methoxypropyl)-2-phenylacetamide
CID 133238331
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133236162
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
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide (CID 133237228) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide is O=C(NCCCO)C(c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
The InChIKey is FQRUDILVCPZIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-18-10-17-27-26(31)25(22-13-6-2-7-14-22)28(19-21-11-4-1-5-12-21)24(30)20-32-23-15-8-3-9-16-23/h1-9,11-16,25,29H,10,17-20H2,(H,27,31).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide has a molecular weight of 432.52 g/mol, XLogP of 3.33, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide is sourced from PubChem (CID 133237228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).