2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide

C17H22N2O2 — CID 43505510

IUPAC2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2ccccc2c1CNC
InChIInChI=1S/C17H22N2O2/c1-3-10-19-17(20)12-21-16-9-8-13-6-4-5-7-14(13)15(16)11-18-2/h4-9,18H,3,10-12H2,1-2H3,(H,19,20)
InChIKeyVVCPMRWJVBAQGS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds7

About 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide

2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide (PubChem CID 43505510) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
PubChem CID43505510
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2ccccc2c1CNC
InChIInChI=1S/C17H22N2O2/c1-3-10-19-17(20)12-21-16-9-8-13-6-4-5-7-14(13)15(16)11-18-2/h4-9,18H,3,10-12H2,1-2H3,(H,19,20)
InChIKeyVVCPMRWJVBAQGS-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508
methyl 4-[1-(methylaminomethyl)naphthalen-2-yl]oxybutanoate
CID 60888670
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053595
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63368452

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide (CID 43505510) is 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide is CCCNC(=O)COc1ccc2ccccc2c1CNC.
What is the InChIKey of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide?
The InChIKey is VVCPMRWJVBAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-19-17(20)12-21-16-9-8-13-6-4-5-7-14(13)15(16)11-18-2/h4-9,18H,3,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide?
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide is sourced from PubChem (CID 43505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).