2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide

C16H26N2O3 — CID 115958032

IUPAC2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(C)cccc1CC(C)N
InChIInChI=1S/C16H26N2O3/c1-11-6-5-7-14(10-12(2)17)15(11)21-13(3)16(19)18-8-9-20-4/h5-7,12-13H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyBQYIRQHDUMLQDJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.41
Rot. Bonds8

About 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide

2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 115958032) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID115958032
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(C)cccc1CC(C)N
InChIInChI=1S/C16H26N2O3/c1-11-6-5-7-14(10-12(2)17)15(11)21-13(3)16(19)18-8-9-20-4/h5-7,12-13H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyBQYIRQHDUMLQDJ-UHFFFAOYSA-N
XLogP1.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 115955495
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide (CID 115958032) is 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1c(C)cccc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is BQYIRQHDUMLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-6-5-7-14(10-12(2)17)15(11)21-13(3)16(19)18-8-9-20-4/h5-7,12-13H,8-10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide?
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115958032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).