N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide

C17H19N3O3 — CID 108521320

IUPACN'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
SMILESCC(O)CNC(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(21)11-18-16(22)17(23)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-10,12,19,21H,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyRIMQHOJOLZJODD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.87
Rot. Bonds5

About N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide

N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide (PubChem CID 108521320) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
PubChem CID108521320
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
SMILESCC(O)CNC(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(21)11-18-16(22)17(23)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-10,12,19,21H,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyRIMQHOJOLZJODD-UHFFFAOYSA-N
XLogP1.87
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.87
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'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
N-(2-hydroxypropyl)-N'-pyridin-2-yloxamide
CID 44999298
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide?
The IUPAC name of N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide (CID 108521320) is N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide?
The canonical SMILES for N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide is CC(O)CNC(=O)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide?
The InChIKey is RIMQHOJOLZJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(21)11-18-16(22)17(23)20-15-9-7-14(8-10-15)19-13-5-3-2-4-6-13/h2-10,12,19,21H,11H2,1H3,(H,18,22)(H,20,23).
What are the key properties of N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide?
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide has a molecular weight of 313.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide is sourced from PubChem (CID 108521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).