N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide

C16H17N3O3 — CID 108502699

IUPACN'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C16H17N3O3/c1-10-3-8-13(17)14(9-10)19-16(21)15(20)18-11-4-6-12(22-2)7-5-11/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPEGSYDVRRCFRST-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.16
Rot. Bonds3

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

N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide (PubChem CID 108502699) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
PubChem CID108502699
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C16H17N3O3/c1-10-3-8-13(17)14(9-10)19-16(21)15(20)18-11-4-6-12(22-2)7-5-11/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPEGSYDVRRCFRST-UHFFFAOYSA-N
XLogP2.16
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)methyl]oxamide
CID 108508266
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
[4-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527869
N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide
CID 108526668
N'-(2-amino-5-methylphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108532284
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 45001353
N-(2-amino-5-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532425

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide (CID 108502699) is N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2N)cc1.
What is the InChIKey of N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide?
The InChIKey is PEGSYDVRRCFRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-3-8-13(17)14(9-10)19-16(21)15(20)18-11-4-6-12(22-2)7-5-11/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide?
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide has a molecular weight of 299.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 108502699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).