N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide

C19H23N3O2 — CID 108529851

IUPACN'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
SMILESCc1ccc(N)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-12-5-10-15(20)16(11-12)22-18(24)17(23)21-14-8-6-13(7-9-14)19(2,3)4/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFVRWUYOCRGAVQF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.45
Rot. Bonds2

About N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide

N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide (PubChem CID 108529851) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
PubChem CID108529851
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
SMILESCc1ccc(N)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H23N3O2/c1-12-5-10-15(20)16(11-12)22-18(24)17(23)21-14-8-6-13(7-9-14)19(2,3)4/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFVRWUYOCRGAVQF-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502699
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
[4-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527869
N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide
CID 108526668
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
N-(2-amino-5-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532425
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide?
The IUPAC name of N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide (CID 108529851) is N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide.
What is the SMILES notation for N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide?
The canonical SMILES for N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide is Cc1ccc(N)c(NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide?
The InChIKey is FVRWUYOCRGAVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-5-10-15(20)16(11-12)22-18(24)17(23)21-14-8-6-13(7-9-14)19(2,3)4/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide?
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide has a molecular weight of 325.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide is sourced from PubChem (CID 108529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).