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

C22H27ClN2O2S — CID 17053652

IUPACN-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc2ccccc2c1CNCc1cccs1.Cl
InChIInChI=1S/C22H26N2O2S.ClH/c1-22(2,3)24-21(25)15-26-20-11-10-16-7-4-5-9-18(16)19(20)14-23-13-17-8-6-12-27-17;/h4-12,23H,13-15H2,1-3H3,(H,24,25);1H
InChIKeyIPYSMLVDZNFDIT-UHFFFAOYSA-N
MW418.99 g/mol
LogP4.91
Rot. Bonds7

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

N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride (PubChem CID 17053652) has the molecular formula C22H27ClN2O2S and a molecular weight of 418.99 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
PubChem CID17053652
Molecular FormulaC22H27ClN2O2S
Molecular Weight418.99 g/mol
Exact Mass418.15
IUPAC NameN-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc2ccccc2c1CNCc1cccs1.Cl
InChIInChI=1S/C22H26N2O2S.ClH/c1-22(2,3)24-21(25)15-26-20-11-10-16-7-4-5-9-18(16)19(20)14-23-13-17-8-6-12-27-17;/h4-12,23H,13-15H2,1-3H3,(H,24,25);1H
InChIKeyIPYSMLVDZNFDIT-UHFFFAOYSA-N
XLogP4.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
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-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
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
CID 17053671
N-tert-butyl-2-[1-[(pyridin-3-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053647
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 N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride (CID 17053652) is N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride is CC(C)(C)NC(=O)COc1ccc2ccccc2c1CNCc1cccs1.Cl.
What is the InChIKey of N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The InChIKey is IPYSMLVDZNFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S.ClH/c1-22(2,3)24-21(25)15-26-20-11-10-16-7-4-5-9-18(16)19(20)14-23-13-17-8-6-12-27-17;/h4-12,23H,13-15H2,1-3H3,(H,24,25);1H.
What are the key properties of N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride has a molecular weight of 418.99 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride is sourced from PubChem (CID 17053652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).