N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide

C20H24N2O3 — CID 90498651

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(O)CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-17(11-9-15)22-19(24)18(23)21-14-20(2,25)13-12-16-6-4-3-5-7-16/h3-11,25H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVGZGMZXAODCKAV-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.43
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide (PubChem CID 90498651) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
PubChem CID90498651
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(O)CCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-17(11-9-15)22-19(24)18(23)21-14-20(2,25)13-12-16-6-4-3-5-7-16/h3-11,25H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVGZGMZXAODCKAV-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.43
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'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498673
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498657
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
CID 111435744
N-(2-ethyl-2-hydroxybutyl)-N'-(4-phenylphenyl)oxamide
CID 48894767
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide (CID 90498651) is N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)(O)CCc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is VGZGMZXAODCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-8-10-17(11-9-15)22-19(24)18(23)21-14-20(2,25)13-12-16-6-4-3-5-7-16/h3-11,25H,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 90498651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).