2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide

C15H24N2O3 — CID 43278792

IUPAC2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCCNCc1ccc(OC)c(OC(C)C(=O)NC)c1
InChIInChI=1S/C15H24N2O3/c1-5-8-17-10-12-6-7-13(19-4)14(9-12)20-11(2)15(18)16-3/h6-7,9,11,17H,5,8,10H2,1-4H3,(H,16,18)
InChIKeySTUNHYNSMNMLDQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds8

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

2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 43278792) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID43278792
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCCNCc1ccc(OC)c(OC(C)C(=O)NC)c1
InChIInChI=1S/C15H24N2O3/c1-5-8-17-10-12-6-7-13(19-4)14(9-12)20-11(2)15(18)16-3/h6-7,9,11,17H,5,8,10H2,1-4H3,(H,16,18)
InChIKeySTUNHYNSMNMLDQ-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide 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-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278181
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide (CID 43278792) is 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide is CCCNCc1ccc(OC)c(OC(C)C(=O)NC)c1.
What is the InChIKey of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is STUNHYNSMNMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-8-17-10-12-6-7-13(19-4)14(9-12)20-11(2)15(18)16-3/h6-7,9,11,17H,5,8,10H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide?
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 8 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-methylpropanamide is sourced from PubChem (CID 43278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).