3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide

C13H20N2O2 — CID 62324546

IUPAC3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCNCc1cccc(OCCC(=O)NC)c1
InChIInChI=1S/C13H20N2O2/c1-3-15-10-11-5-4-6-12(9-11)17-8-7-13(16)14-2/h4-6,9,15H,3,7-8,10H2,1-2H3,(H,14,16)
InChIKeyBYZVTPWEKRVBKU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds7

About 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide

3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 62324546) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID62324546
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCNCc1cccc(OCCC(=O)NC)c1
InChIInChI=1S/C13H20N2O2/c1-3-15-10-11-5-4-6-12(9-11)17-8-7-13(16)14-2/h4-6,9,15H,3,7-8,10H2,1-2H3,(H,14,16)
InChIKeyBYZVTPWEKRVBKU-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(ethylaminomethyl)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

3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide (CID 62324546) is 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide is CCNCc1cccc(OCCC(=O)NC)c1.
What is the InChIKey of 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is BYZVTPWEKRVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-10-11-5-4-6-12(9-11)17-8-7-13(16)14-2/h4-6,9,15H,3,7-8,10H2,1-2H3,(H,14,16).
What are the key properties of 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide?
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62324546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).