2-(4-acetyl-2-aminophenoxy)-N-propylacetamide

C13H18N2O3 — CID 82064189

IUPAC2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(C(C)=O)cc1N
InChIInChI=1S/C13H18N2O3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyXYRHIWIECMRAAF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.38
Rot. Bonds6

About 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide

2-(4-acetyl-2-aminophenoxy)-N-propylacetamide (PubChem CID 82064189) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
PubChem CID82064189
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(C(C)=O)cc1N
InChIInChI=1S/C13H18N2O3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,17)
InChIKeyXYRHIWIECMRAAF-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436
[2-(butylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61485782
2-(4-amino-2-bromophenoxy)-N-propylacetamide
CID 155894555
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
methyl 3-amino-4-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoate
CID 43380279
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide?
The IUPAC name of 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide (CID 82064189) is 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(C(C)=O)cc1N.
What is the InChIKey of 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide?
The InChIKey is XYRHIWIECMRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-6-15-13(17)8-18-12-5-4-10(9(2)16)7-11(12)14/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide?
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide has a molecular weight of 250.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-aminophenoxy)-N-propylacetamide is sourced from PubChem (CID 82064189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).