N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide

C25H25N3O4 — CID 90497636

IUPACN'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H25N3O4/c1-17(29)27-21-9-6-10-22(15-21)28-24(31)23(30)26-16-25(2,32)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-15,32H,16H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyLQEWQCOUVLFFRM-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.27
Rot. Bonds6

About N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide

N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide (PubChem CID 90497636) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
PubChem CID90497636
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H25N3O4/c1-17(29)27-21-9-6-10-22(15-21)28-24(31)23(30)26-16-25(2,32)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-15,32H,16H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyLQEWQCOUVLFFRM-UHFFFAOYSA-N
XLogP3.27
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781852
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
N'-(3-acetamidophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499460
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852189
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
CID 111435744

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide (CID 90497636) is N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The InChIKey is LQEWQCOUVLFFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17(29)27-21-9-6-10-22(15-21)28-24(31)23(30)26-16-25(2,32)20-13-11-19(12-14-20)18-7-4-3-5-8-18/h3-15,32H,16H2,1-2H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide has a molecular weight of 431.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide is sourced from PubChem (CID 90497636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).