N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride

C24H37ClN2O2 — CID 17053670

IUPACN-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
SMILESCCCCCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.Cl
InChIInChI=1S/C24H36N2O2.ClH/c1-5-6-7-8-11-16-25-17-21-20-13-10-9-12-19(20)14-15-22(21)28-18-23(27)26-24(2,3)4;/h9-10,12-15,25H,5-8,11,16-18H2,1-4H3,(H,26,27);1H
InChIKeyHRINXJBJUVJXND-UHFFFAOYSA-N
MW421.03 g/mol
LogP5.62
Rot. Bonds11

About N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride

N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride (PubChem CID 17053670) has the molecular formula C24H37ClN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
PubChem CID17053670
Molecular FormulaC24H37ClN2O2
Molecular Weight421.03 g/mol
Exact Mass420.25
IUPAC NameN-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
SMILESCCCCCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.Cl
InChIInChI=1S/C24H36N2O2.ClH/c1-5-6-7-8-11-16-25-17-21-20-13-10-9-12-19(20)14-15-22(21)28-18-23(27)26-24(2,3)4;/h9-10,12-15,25H,5-8,11,16-18H2,1-4H3,(H,26,27);1H
InChIKeyHRINXJBJUVJXND-UHFFFAOYSA-N
XLogP5.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.03
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053659
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
N-tert-butyl-2-[1-[(prop-2-enylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053679
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053652
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride (CID 17053670) is N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride is CCCCCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.Cl.
What is the InChIKey of N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The InChIKey is HRINXJBJUVJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2.ClH/c1-5-6-7-8-11-16-25-17-21-20-13-10-9-12-19(20)14-15-22(21)28-18-23(27)26-24(2,3)4;/h9-10,12-15,25H,5-8,11,16-18H2,1-4H3,(H,26,27);1H.
What are the key properties of N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride has a molecular weight of 421.03 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride is sourced from PubChem (CID 17053670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).