2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide

C17H23N3O2 — CID 17053595

IUPAC2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
SMILESCNCCCNCc1c(OCC(N)=O)ccc2ccccc12
InChIInChI=1S/C17H23N3O2/c1-19-9-4-10-20-11-15-14-6-3-2-5-13(14)7-8-16(15)22-12-17(18)21/h2-3,5-8,19-20H,4,9-12H2,1H3,(H2,18,21)
InChIKeySTSOYIBTKWIQGH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.40
Rot. Bonds9

About 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide

2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053595) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
PubChem CID17053595
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
SMILESCNCCCNCc1c(OCC(N)=O)ccc2ccccc12
InChIInChI=1S/C17H23N3O2/c1-19-9-4-10-20-11-15-14-6-3-2-5-13(14)7-8-16(15)22-12-17(18)21/h2-3,5-8,19-20H,4,9-12H2,1H3,(H2,18,21)
InChIKeySTSOYIBTKWIQGH-UHFFFAOYSA-N
XLogP1.40
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053659

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide (CID 17053595) is 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide is CNCCCNCc1c(OCC(N)=O)ccc2ccccc12.
What is the InChIKey of 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is STSOYIBTKWIQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-9-4-10-20-11-15-14-6-3-2-5-13(14)7-8-16(15)22-12-17(18)21/h2-3,5-8,19-20H,4,9-12H2,1H3,(H2,18,21).
What are the key properties of 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 301.39 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).