3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide

C14H22N2O4 — CID 62326748

IUPAC3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCNCc1cc(OC)c(OCCC(=O)NC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-15-9-10-7-11(18-3)14(12(8-10)19-4)20-6-5-13(17)16-2/h7-8,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyHXSURVUTZKCIKB-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.94
Rot. Bonds8

About 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide

3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 62326748) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID62326748
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCNCc1cc(OC)c(OCCC(=O)NC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-15-9-10-7-11(18-3)14(12(8-10)19-4)20-6-5-13(17)16-2/h7-8,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyHXSURVUTZKCIKB-UHFFFAOYSA-N
XLogP0.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324369
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513
4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63892028
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide (CID 62326748) is 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide is CNCc1cc(OC)c(OCCC(=O)NC)c(OC)c1.
What is the InChIKey of 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is HXSURVUTZKCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-15-9-10-7-11(18-3)14(12(8-10)19-4)20-6-5-13(17)16-2/h7-8,15H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide?
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62326748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).