N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide

C20H24N2O3 — CID 111435744

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
SMILESCC(C)C(C)(O)CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)20(3,25)13-21-18(23)19(24)22-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,25H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJUEFAIRZEKCMLG-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.82
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide

N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide (PubChem CID 111435744) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
PubChem CID111435744
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
SMILESCC(C)C(C)(O)CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)20(3,25)13-21-18(23)19(24)22-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,25H,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJUEFAIRZEKCMLG-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-N'-(4-phenylphenyl)oxamide
CID 48894767
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111435734
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
N-[4-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483718
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
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide (CID 111435744) is N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide is CC(C)C(C)(O)CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide?
The InChIKey is JUEFAIRZEKCMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)20(3,25)13-21-18(23)19(24)22-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,25H,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide is sourced from PubChem (CID 111435744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).