N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride

C25H31ClN2O3 — CID 17053734

IUPACN-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
SMILESCOc1ccc(CNCc2c(OCC(=O)NC(C)(C)C)ccc3ccccc23)cc1.Cl
InChIInChI=1S/C25H30N2O3.ClH/c1-25(2,3)27-24(28)17-30-23-14-11-19-7-5-6-8-21(19)22(23)16-26-15-18-9-12-20(29-4)13-10-18;/h5-14,26H,15-17H2,1-4H3,(H,27,28);1H
InChIKeyAJDNDGHBFNILMK-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.85
Rot. Bonds8

About N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride

N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride (PubChem CID 17053734) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
PubChem CID17053734
Molecular FormulaC25H31ClN2O3
Molecular Weight442.99 g/mol
Exact Mass442.20
IUPAC NameN-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
SMILESCOc1ccc(CNCc2c(OCC(=O)NC(C)(C)C)ccc3ccccc23)cc1.Cl
InChIInChI=1S/C25H30N2O3.ClH/c1-25(2,3)27-24(28)17-30-23-14-11-19-7-5-6-8-21(19)22(23)16-26-15-18-9-12-20(29-4)13-10-18;/h5-14,26H,15-17H2,1-4H3,(H,27,28);1H
InChIKeyAJDNDGHBFNILMK-UHFFFAOYSA-N
XLogP4.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
N-tert-butyl-2-[1-[(pyridin-3-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053647
N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053652
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-[[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
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-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride (CID 17053734) is N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride is COc1ccc(CNCc2c(OCC(=O)NC(C)(C)C)ccc3ccccc23)cc1.Cl.
What is the InChIKey of N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
The InChIKey is AJDNDGHBFNILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3.ClH/c1-25(2,3)27-24(28)17-30-23-14-11-19-7-5-6-8-21(19)22(23)16-26-15-18-9-12-20(29-4)13-10-18;/h5-14,26H,15-17H2,1-4H3,(H,27,28);1H.
What are the key properties of N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride?
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride has a molecular weight of 442.99 g/mol, XLogP of 4.85, 8 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-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride is sourced from PubChem (CID 17053734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).