N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide

C23H21N3O4 — CID 17489902

IUPACN'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-16-11-13-17(14-12-16)25-23(29)22(28)24-15-21(27)26-19-9-5-6-10-20(19)30-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPZKHCZVTXDBAQD-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.48
Rot. Bonds6

About N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide

N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide (PubChem CID 17489902) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
PubChem CID17489902
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-16-11-13-17(14-12-16)25-23(29)22(28)24-15-21(27)26-19-9-5-6-10-20(19)30-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPZKHCZVTXDBAQD-UHFFFAOYSA-N
XLogP3.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-(4-acetylphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987473
2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109007685
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
2-(N-acetyl-4-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 113167825
N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide
CID 108984808
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
CID 113000974
N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide
CID 17433816

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide?
The IUPAC name of N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide (CID 17489902) is N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide?
The canonical SMILES for N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide?
The InChIKey is PZKHCZVTXDBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16-11-13-17(14-12-16)25-23(29)22(28)24-15-21(27)26-19-9-5-6-10-20(19)30-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide?
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide has a molecular weight of 403.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide is sourced from PubChem (CID 17489902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).