N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride

C20H23ClN2O3 — CID 119439857

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1coc2cc(OC)ccc12.Cl
InChIInChI=1S/C20H22N2O3.ClH/c1-3-21-12-14-6-4-5-7-18(14)22-20(23)10-15-13-25-19-11-16(24-2)8-9-17(15)19;/h4-9,11,13,21H,3,10,12H2,1-2H3,(H,22,23);1H
InChIKeyJXMKXSFMGUAGTF-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.15
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 119439857) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID119439857
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)Cc1coc2cc(OC)ccc12.Cl
InChIInChI=1S/C20H22N2O3.ClH/c1-3-21-12-14-6-4-5-7-18(14)22-20(23)10-15-13-25-19-11-16(24-2)8-9-17(15)19;/h4-9,11,13,21H,3,10,12H2,1-2H3,(H,22,23);1H
InChIKeyJXMKXSFMGUAGTF-UHFFFAOYSA-N
XLogP4.15
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide
CID 8750798
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 8011717
N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 26686594
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 27335472
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 78781674
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 55462664

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride (CID 119439857) is N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride is CCNCc1ccccc1NC(=O)Cc1coc2cc(OC)ccc12.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is JXMKXSFMGUAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.ClH/c1-3-21-12-14-6-4-5-7-18(14)22-20(23)10-15-13-25-19-11-16(24-2)8-9-17(15)19;/h4-9,11,13,21H,3,10,12H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119439857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).