N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide

C17H18N2O3 — CID 108523165

IUPACN-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(O)c1
InChIInChI=1S/C17H18N2O3/c1-10-4-7-14(15(20)8-10)19-17(22)16(21)18-13-6-5-11(2)12(3)9-13/h4-9,20H,1-3H3,(H,18,21)(H,19,22)
InChIKeyVVHVKWBORMGTDQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.89
Rot. Bonds2

About N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide

N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide (PubChem CID 108523165) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
PubChem CID108523165
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(O)c1
InChIInChI=1S/C17H18N2O3/c1-10-4-7-14(15(20)8-10)19-17(22)16(21)18-13-6-5-11(2)12(3)9-13/h4-9,20H,1-3H3,(H,18,21)(H,19,22)
InChIKeyVVHVKWBORMGTDQ-UHFFFAOYSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide
CID 108532032
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 108531024
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide (CID 108523165) is N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)c(O)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
The InChIKey is VVHVKWBORMGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-4-7-14(15(20)8-10)19-17(22)16(21)18-13-6-5-11(2)12(3)9-13/h4-9,20H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide has a molecular weight of 298.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide is sourced from PubChem (CID 108523165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).