2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

C18H21ClN2O3 — CID 119439602

IUPAC2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-2-19-11-14-5-3-4-6-15(14)20-18(21)10-13-7-8-16-17(9-13)23-12-22-16;/h3-9,19H,2,10-12H2,1H3,(H,20,21);1H
InChIKeyDKSADNYOPFRPIB-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.13
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride

2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (PubChem CID 119439602) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
PubChem CID119439602
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-2-19-11-14-5-3-4-6-15(14)20-18(21)10-13-7-8-16-17(9-13)23-12-22-16;/h3-9,19H,2,10-12H2,1H3,(H,20,21);1H
InChIKeyDKSADNYOPFRPIB-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
CID 108947205
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119439132
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119440376
N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
CID 43816753
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8924585
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride (CID 119439602) is 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is CCNCc1ccccc1NC(=O)Cc1ccc2c(c1)OCO2.Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
The InChIKey is DKSADNYOPFRPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.ClH/c1-2-19-11-14-5-3-4-6-15(14)20-18(21)10-13-7-8-16-17(9-13)23-12-22-16;/h3-9,19H,2,10-12H2,1H3,(H,20,21);1H.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride?
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119439602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).