N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C13H19N3O3 — CID 108532766

IUPACN-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)CO)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-8-4-5-10(9(14)6-8)15-11(18)12(19)16-13(2,3)7-17/h4-6,17H,7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyDCOSXUCZLZFLOM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.40
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 108532766) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID108532766
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)CO)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-8-4-5-10(9(14)6-8)15-11(18)12(19)16-13(2,3)7-17/h4-6,17H,7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyDCOSXUCZLZFLOM-UHFFFAOYSA-N
XLogP0.40
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.40
H-Bond Donors ≤ 54
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-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502956
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996302
N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526288
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N-(2-amino-4-methylphenyl)-N'-pyridin-2-yloxamide
CID 108525984
N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 45000720
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44995791
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 108532766) is N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)(C)CO)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is DCOSXUCZLZFLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-4-5-10(9(14)6-8)15-11(18)12(19)16-13(2,3)7-17/h4-6,17H,7,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 265.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 108532766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).