2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C16H26N2O2 — CID 115952813

IUPAC2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cccc(C)c1OCC(=O)NC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-9-17-10-14-8-6-7-13(4)16(14)20-11-15(19)18-12(2)3/h6-8,12,17H,5,9-11H2,1-4H3,(H,18,19)
InChIKeyYSCQLABTWBPUNM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.40
Rot. Bonds8

About 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 115952813) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID115952813
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cccc(C)c1OCC(=O)NC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-9-17-10-14-8-6-7-13(4)16(14)20-11-15(19)18-12(2)3/h6-8,12,17H,5,9-11H2,1-4H3,(H,18,19)
InChIKeyYSCQLABTWBPUNM-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide 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

N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952798
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
CID 115952878
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 112609166
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 115952813) is 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCCNCc1cccc(C)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is YSCQLABTWBPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-17-10-14-8-6-7-13(4)16(14)20-11-15(19)18-12(2)3/h6-8,12,17H,5,9-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 115952813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).