2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide

C12H18N2O3 — CID 43276291

IUPAC2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCNCc1cc(OC)ccc1OCC(=O)NC
InChIInChI=1S/C12H18N2O3/c1-13-7-9-6-10(16-3)4-5-11(9)17-8-12(15)14-2/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyIISLMOHEWZTJKI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds6

About 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide

2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 43276291) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID43276291
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCNCc1cc(OC)ccc1OCC(=O)NC
InChIInChI=1S/C12H18N2O3/c1-13-7-9-6-10(16-3)4-5-11(9)17-8-12(15)14-2/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyIISLMOHEWZTJKI-UHFFFAOYSA-N
XLogP0.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 43276298
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489494
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide (CID 43276291) is 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide is CNCc1cc(OC)ccc1OCC(=O)NC.
What is the InChIKey of 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is IISLMOHEWZTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-7-9-6-10(16-3)4-5-11(9)17-8-12(15)14-2/h4-6,13H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide?
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 43276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).