2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C16H26N2O3 — CID 43278803

IUPAC2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1ccc(OC)c(OCC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-5-8-17-10-13-6-7-14(20-4)15(9-13)21-11-16(19)18-12(2)3/h6-7,9,12,17H,5,8,10-11H2,1-4H3,(H,18,19)
InChIKeyJEIUELDSZPYIER-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds9

About 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 43278803) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID43278803
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1ccc(OC)c(OCC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-5-8-17-10-13-6-7-14(20-4)15(9-13)21-11-16(19)18-12(2)3/h6-7,9,12,17H,5,8,10-11H2,1-4H3,(H,18,19)
InChIKeyJEIUELDSZPYIER-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 60883012
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 43278803) is 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCCNCc1ccc(OC)c(OCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is JEIUELDSZPYIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-8-17-10-13-6-7-14(20-4)15(9-13)21-11-16(19)18-12(2)3/h6-7,9,12,17H,5,8,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 43278803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).