2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide

C24H28N2O2 — CID 17053617

IUPAC2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1ccc2ccccc2c1CNCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)26-23(27)17-28-22-14-13-19-11-7-8-12-20(19)21(22)16-25-15-18-9-5-4-6-10-18/h4-14,25H,15-17H2,1-3H3,(H,26,27)
InChIKeyIHYMMZIVQYPIFZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.42
Rot. Bonds7

About 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide

2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide (PubChem CID 17053617) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
PubChem CID17053617
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1ccc2ccccc2c1CNCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)26-23(27)17-28-22-14-13-19-11-7-8-12-20(19)21(22)16-25-15-18-9-5-4-6-10-18/h4-14,25H,15-17H2,1-3H3,(H,26,27)
InChIKeyIHYMMZIVQYPIFZ-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
N-tert-butyl-2-[1-[(pyridin-3-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053647
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-[(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-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
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-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
The IUPAC name of 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide (CID 17053617) is 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide.
What is the SMILES notation for 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
The canonical SMILES for 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide is CC(C)(C)NC(=O)COc1ccc2ccccc2c1CNCc1ccccc1.
What is the InChIKey of 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
The InChIKey is IHYMMZIVQYPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-24(2,3)26-23(27)17-28-22-14-13-19-11-7-8-12-20(19)21(22)16-25-15-18-9-5-4-6-10-18/h4-14,25H,15-17H2,1-3H3,(H,26,27).
What are the key properties of 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide has a molecular weight of 376.50 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide is sourced from PubChem (CID 17053617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).