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

C13H20N2O2 — CID 43277187

IUPAC2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccccc1CNC
InChIInChI=1S/C13H20N2O2/c1-3-8-15-13(16)10-17-12-7-5-4-6-11(12)9-14-2/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyBEVHGHAWMMFXEX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds7

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

2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide (PubChem CID 43277187) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
PubChem CID43277187
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccccc1CNC
InChIInChI=1S/C13H20N2O2/c1-3-8-15-13(16)10-17-12-7-5-4-6-11(12)9-14-2/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyBEVHGHAWMMFXEX-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

N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 106484641
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 106484672
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
CID 43221379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide (CID 43277187) is 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccccc1CNC.
What is the InChIKey of 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide?
The InChIKey is BEVHGHAWMMFXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-8-15-13(16)10-17-12-7-5-4-6-11(12)9-14-2/h4-7,14H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide?
2-[2-(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-[2-(methylaminomethyl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 43277187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).