2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide

C13H20N2O2 — CID 114088084

IUPAC2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(N)c(C)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-5-15-13(16)8-17-12-7-11(14)9(2)6-10(12)3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeySPYWNQFMSMTTDL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds5

About 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide

2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide (PubChem CID 114088084) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
PubChem CID114088084
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(N)c(C)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-5-15-13(16)8-17-12-7-11(14)9(2)6-10(12)3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeySPYWNQFMSMTTDL-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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

2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide
CID 63180957
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide
CID 142440430
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
2-(4-bromo-2,5-dimethylphenoxy)-N-heptylacetamide
CID 3901238
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide (CID 114088084) is 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide is CCCNC(=O)COc1cc(N)c(C)cc1C.
What is the InChIKey of 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide?
The InChIKey is SPYWNQFMSMTTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-15-13(16)8-17-12-7-11(14)9(2)6-10(12)3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide?
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide is sourced from PubChem (CID 114088084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).