N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide

C16H20N2O2S — CID 106485959

IUPACN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide
SMILESCNCc1cccc(OCC(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C16H20N2O2S/c1-17-9-13-4-3-5-15(8-13)20-11-16(19)18(2)10-14-6-7-21-12-14/h3-8,12,17H,9-11H2,1-2H3
InChIKeyVPVCIAHVELCJDT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.50
Rot. Bonds7

About N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 106485959) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID106485959
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide
SMILESCNCc1cccc(OCC(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C16H20N2O2S/c1-17-9-13-4-3-5-15(8-13)20-11-16(19)18(2)10-14-6-7-21-12-14/h3-8,12,17H,9-11H2,1-2H3
InChIKeyVPVCIAHVELCJDT-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
2-[3-[[[ethylamino-[methyl(thiophen-3-ylmethyl)amino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111984924
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
N-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(thiophen-3-ylmethyl)acetamide
CID 27677867
N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 86203067
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46537603

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide (CID 106485959) is N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide is CNCc1cccc(OCC(=O)N(C)Cc2ccsc2)c1.
What is the InChIKey of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is VPVCIAHVELCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17-9-13-4-3-5-15(8-13)20-11-16(19)18(2)10-14-6-7-21-12-14/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 106485959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).