2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride

C20H26Cl2N2O2 — CID 17054094

IUPAC2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(Cl)cc1CNCc1ccccc1.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/c1-20(2,3)23-19(24)14-25-18-10-9-17(21)11-16(18)13-22-12-15-7-5-4-6-8-15;/h4-11,22H,12-14H2,1-3H3,(H,23,24);1H
InChIKeyZMVKXPRXEGIMGD-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride

2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride (PubChem CID 17054094) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
PubChem CID17054094
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Name2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(Cl)cc1CNCc1ccccc1.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/c1-20(2,3)23-19(24)14-25-18-10-9-17(21)11-16(18)13-22-12-15-7-5-4-6-8-15;/h4-11,22H,12-14H2,1-3H3,(H,23,24);1H
InChIKeyZMVKXPRXEGIMGD-UHFFFAOYSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(benzylamino)methyl]-4-bromophenoxy]-N-tert-butylacetamide
CID 17053851
N-tert-butyl-2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide
CID 17054171
N-tert-butyl-2-[2-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17053242
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131
5-[[2-[2-(tert-butylamino)-2-oxoethoxy]-5-chlorophenyl]methylamino]-2-chlorobenzoic acid
CID 17058507
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
CID 17053191
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17208545
2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053223
2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
CID 17057947

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride?
The IUPAC name of 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride (CID 17054094) is 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride?
The canonical SMILES for 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride is CC(C)(C)NC(=O)COc1ccc(Cl)cc1CNCc1ccccc1.Cl.
What is the InChIKey of 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride?
The InChIKey is ZMVKXPRXEGIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2.ClH/c1-20(2,3)23-19(24)14-25-18-10-9-17(21)11-16(18)13-22-12-15-7-5-4-6-8-15;/h4-11,22H,12-14H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride?
2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride has a molecular weight of 397.35 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride is sourced from PubChem (CID 17054094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).