N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide

C13H20N2O2 — CID 43376605

IUPACN-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
SMILESCc1ccc(NC(=O)COCC(C)C)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)7-17-8-13(16)15-12-5-4-10(3)6-11(12)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyICOGPGCUQKWMHZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.19
Rot. Bonds5

About N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide

N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide (PubChem CID 43376605) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
PubChem CID43376605
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
SMILESCc1ccc(NC(=O)COCC(C)C)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)7-17-8-13(16)15-12-5-4-10(3)6-11(12)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyICOGPGCUQKWMHZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-butan-2-yloxyacetamide
CID 54943807
N-(2-amino-4-methylphenyl)-2-cyclopentyloxyacetamide
CID 43376331
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(2-amino-4-methylphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 43376622
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-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
N-(2-hydroxyphenyl)-2-(2-methylpropoxy)acetamide
CID 143482157
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide (CID 43376605) is N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide is Cc1ccc(NC(=O)COCC(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide?
The InChIKey is ICOGPGCUQKWMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)7-17-8-13(16)15-12-5-4-10(3)6-11(12)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide?
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.19, 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-(2-methylpropoxy)acetamide is sourced from PubChem (CID 43376605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).