N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride

C18H29ClN2O2 — CID 17053186

IUPACN-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccccc1CNC1CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-18(2,3)20-17(21)13-22-16-11-7-4-8-14(16)12-19-15-9-5-6-10-15;/h4,7-8,11,15,19H,5-6,9-10,12-13H2,1-3H3,(H,20,21);1H
InChIKeyULORUUNROLDGOT-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.43
Rot. Bonds6

About N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride

N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17053186) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17053186
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccccc1CNC1CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-18(2,3)20-17(21)13-22-16-11-7-4-8-14(16)12-19-15-9-5-6-10-15;/h4,7-8,11,15,19H,5-6,9-10,12-13H2,1-3H3,(H,20,21);1H
InChIKeyULORUUNROLDGOT-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
2-[4-bromo-2-[(cycloheptylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053952
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2164253
N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492439
N-tert-butyl-2-[2-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17053242
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
CID 17053191
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17053186) is N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride is CC(C)(C)NC(=O)COc1ccccc1CNC1CCCC1.Cl.
What is the InChIKey of N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is ULORUUNROLDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-18(2,3)20-17(21)13-22-16-11-7-4-8-14(16)12-19-15-9-5-6-10-15;/h4,7-8,11,15,19H,5-6,9-10,12-13H2,1-3H3,(H,20,21);1H.
What are the key properties of N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).