N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide

C13H20N2O2 — CID 54943807

IUPACN-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
SMILESCCC(C)OCC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O2/c1-4-10(3)17-8-13(16)15-12-6-5-9(2)7-11(12)14/h5-7,10H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyXDYHTIWGJPXCIB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds5

About N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide

N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide (PubChem CID 54943807) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
PubChem CID54943807
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
SMILESCCC(C)OCC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O2/c1-4-10(3)17-8-13(16)15-12-6-5-9(2)7-11(12)14/h5-7,10H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyXDYHTIWGJPXCIB-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(2-amino-4-methylphenyl)-2-(2-bromophenoxy)acetamide
CID 43376719
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452
N-(2-amino-4-methylphenyl)-2-cyclopentyloxyacetamide
CID 43376331
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 43376508
N-(2-amino-4-methylphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 43376622

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide (CID 54943807) is N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide is CCC(C)OCC(=O)Nc1ccc(C)cc1N.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide?
The InChIKey is XDYHTIWGJPXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(3)17-8-13(16)15-12-6-5-9(2)7-11(12)14/h5-7,10H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide?
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide is sourced from PubChem (CID 54943807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).