N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

C20H23ClN2O2 — CID 119548906

IUPACN-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCc1ccc2c(CC(=O)NCCc3ccc(N)cc3)coc2c1C.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-13-3-8-18-16(12-24-20(18)14(13)2)11-19(23)22-10-9-15-4-6-17(21)7-5-15;/h3-8,12H,9-11,21H2,1-2H3,(H,22,23);1H
InChIKeyKAPZSALSNIORBC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 119548906) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID119548906
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCc1ccc2c(CC(=O)NCCc3ccc(N)cc3)coc2c1C.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-13-3-8-18-16(12-24-20(18)14(13)2)11-19(23)22-10-9-15-4-6-17(21)7-5-15;/h3-8,12H,9-11,21H2,1-2H3,(H,22,23);1H
InChIKeyKAPZSALSNIORBC-UHFFFAOYSA-N
XLogP3.96
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 78796855
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119642385
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617878
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119567157
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (CID 119548906) is N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is Cc1ccc2c(CC(=O)NCCc3ccc(N)cc3)coc2c1C.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is KAPZSALSNIORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c1-13-3-8-18-16(12-24-20(18)14(13)2)11-19(23)22-10-9-15-4-6-17(21)7-5-15;/h3-8,12H,9-11,21H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119548906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).