N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide

C25H38N2O2 — CID 17053725

IUPACN-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCCCCCCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C25H38N2O2/c1-5-6-7-8-9-12-17-26-18-22-21-14-11-10-13-20(21)15-16-23(22)29-19-24(28)27-25(2,3)4/h10-11,13-16,26H,5-9,12,17-19H2,1-4H3,(H,27,28)
InChIKeyKTKPAITZARISFP-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.58
Rot. Bonds12

About N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide

N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053725) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
PubChem CID17053725
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCCCCCCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C25H38N2O2/c1-5-6-7-8-9-12-17-26-18-22-21-14-11-10-13-20(21)15-16-23(22)29-19-24(28)27-25(2,3)4/h10-11,13-16,26H,5-9,12,17-19H2,1-4H3,(H,27,28)
InChIKeyKTKPAITZARISFP-UHFFFAOYSA-N
XLogP5.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.58
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-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
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
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
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
CID 17053735
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide (CID 17053725) is N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide is CCCCCCCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is KTKPAITZARISFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-5-6-7-8-9-12-17-26-18-22-21-14-11-10-13-20(21)15-16-23(22)29-19-24(28)27-25(2,3)4/h10-11,13-16,26H,5-9,12,17-19H2,1-4H3,(H,27,28).
What are the key properties of N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide?
N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 398.59 g/mol, XLogP of 5.58, 12 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-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).