2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide

C13H20N2O2 — CID 43278288

IUPAC2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(CNC)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-13(16)10-17-12-6-4-5-11(8-12)9-14-2/h4-6,8,14H,3,7,9-10H2,1-2H3,(H,15,16)
InChIKeyTULLXNJLGMXYBU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds7

About 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide

2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide (PubChem CID 43278288) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
PubChem CID43278288
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccc(CNC)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-13(16)10-17-12-6-4-5-11(8-12)9-14-2/h4-6,8,14H,3,7,9-10H2,1-2H3,(H,15,16)
InChIKeyTULLXNJLGMXYBU-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

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Related Compounds

2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
CID 106486086
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
N-methyl-2-[3-(propylaminomethyl)phenoxy]acetamide
CID 43278420
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
2-[3-[(tert-butylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 63055877
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide (CID 43278288) is 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide is CCCNC(=O)COc1cccc(CNC)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide?
The InChIKey is TULLXNJLGMXYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15-13(16)10-17-12-6-4-5-11(8-12)9-14-2/h4-6,8,14H,3,7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide?
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide 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 2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 43278288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).