N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide

C13H20N2O2 — CID 112601871

IUPACN-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
SMILESCc1cc(N)c(NC(=O)COC(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)17-7-13(16)15-12-6-10(4)9(3)5-11(12)14/h5-6,8H,7,14H2,1-4H3,(H,15,16)
InChIKeyWEHYONCKCLNSFX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.25
Rot. Bonds4

About N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide

N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide (PubChem CID 112601871) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
PubChem CID112601871
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
SMILESCc1cc(N)c(NC(=O)COC(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-8(2)17-7-13(16)15-12-6-10(4)9(3)5-11(12)14/h5-6,8H,7,14H2,1-4H3,(H,15,16)
InChIKeyWEHYONCKCLNSFX-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.25
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-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
CID 54943807
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
CID 112601922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide (CID 112601871) is N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide is Cc1cc(N)c(NC(=O)COC(C)C)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is WEHYONCKCLNSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)17-7-13(16)15-12-6-10(4)9(3)5-11(12)14/h5-6,8H,7,14H2,1-4H3,(H,15,16).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide?
N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112601871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).