N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride

C21H33Cl2N3O2 — CID 17053720

IUPACN-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
SMILESCNCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C21H31N3O2.2ClH/c1-21(2,3)24-20(25)15-26-19-11-10-16-8-5-6-9-17(16)18(19)14-23-13-7-12-22-4;;/h5-6,8-11,22-23H,7,12-15H2,1-4H3,(H,24,25);2*1H
InChIKeyIECKRQSAYAVJDC-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.68
Rot. Bonds9

About N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride

N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride (PubChem CID 17053720) has the molecular formula C21H33Cl2N3O2 and a molecular weight of 430.42 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
PubChem CID17053720
Molecular FormulaC21H33Cl2N3O2
Molecular Weight430.42 g/mol
Exact Mass429.19
IUPAC NameN-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
SMILESCNCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.Cl.Cl
InChIInChI=1S/C21H31N3O2.2ClH/c1-21(2,3)24-20(25)15-26-19-11-10-16-8-5-6-9-17(16)18(19)14-23-13-7-12-22-4;;/h5-6,8-11,22-23H,7,12-15H2,1-4H3,(H,24,25);2*1H
InChIKeyIECKRQSAYAVJDC-UHFFFAOYSA-N
XLogP3.68
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.68
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-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
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
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053659
2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053595
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-tert-butyl-2-[1-[(prop-2-enylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053679
N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053652
N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053727

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride?
The IUPAC name of N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride (CID 17053720) is N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride.
What is the SMILES notation for N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride?
The canonical SMILES for N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride is CNCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.Cl.Cl.
What is the InChIKey of N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride?
The InChIKey is IECKRQSAYAVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.2ClH/c1-21(2,3)24-20(25)15-26-19-11-10-16-8-5-6-9-17(16)18(19)14-23-13-7-12-22-4;;/h5-6,8-11,22-23H,7,12-15H2,1-4H3,(H,24,25);2*1H.
What are the key properties of N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride?
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride has a molecular weight of 430.42 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride is sourced from PubChem (CID 17053720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).