N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide

C16H15N3O4 — CID 108530456

IUPACN-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)c(O)c1
InChIInChI=1S/C16H15N3O4/c1-9-2-7-12(13(20)8-9)19-16(23)15(22)18-11-5-3-10(4-6-11)14(17)21/h2-8,20H,1H3,(H2,17,21)(H,18,22)(H,19,23)
InChIKeyAETXYWKVMYMSFY-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.38
Rot. Bonds3

About N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide

N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide (PubChem CID 108530456) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
PubChem CID108530456
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)c(O)c1
InChIInChI=1S/C16H15N3O4/c1-9-2-7-12(13(20)8-9)19-16(23)15(22)18-11-5-3-10(4-6-11)14(17)21/h2-8,20H,1H3,(H2,17,21)(H,18,22)(H,19,23)
InChIKeyAETXYWKVMYMSFY-UHFFFAOYSA-N
XLogP1.38
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 45001353
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617
N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide (CID 108530456) is N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)c(O)c1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
The InChIKey is AETXYWKVMYMSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-2-7-12(13(20)8-9)19-16(23)15(22)18-11-5-3-10(4-6-11)14(17)21/h2-8,20H,1H3,(H2,17,21)(H,18,22)(H,19,23).
What are the key properties of N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide has a molecular weight of 313.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide is sourced from PubChem (CID 108530456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).