2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride

C18H21ClN2O5 — CID 2997355

IUPAC2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(N)=O.Cl
InChIInChI=1S/C18H20N2O5.ClH/c1-22-16-6-12(2-4-14(16)23-10-18(19)21)8-20-9-13-3-5-15-17(7-13)25-11-24-15;/h2-7,20H,8-11H2,1H3,(H2,19,21);1H
InChIKeyPQDSLLCWLGITSS-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.00
Rot. Bonds8

About 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride

2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 2997355) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
PubChem CID2997355
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(N)=O.Cl
InChIInChI=1S/C18H20N2O5.ClH/c1-22-16-6-12(2-4-14(16)23-10-18(19)21)8-20-9-13-3-5-15-17(7-13)25-11-24-15;/h2-7,20H,8-11H2,1H3,(H2,19,21);1H
InChIKeyPQDSLLCWLGITSS-UHFFFAOYSA-N
XLogP2.00
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4714600
2-[4-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 9212722
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 110824956
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119121988
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2436664
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride (CID 2997355) is 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride is COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCC(N)=O.Cl.
What is the InChIKey of 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is PQDSLLCWLGITSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5.ClH/c1-22-16-6-12(2-4-14(16)23-10-18(19)21)8-20-9-13-3-5-15-17(7-13)25-11-24-15;/h2-7,20H,8-11H2,1H3,(H2,19,21);1H.
What are the key properties of 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride?
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 380.83 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2997355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).