2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride

C21H25ClN2O3 — CID 120666808

IUPAC2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCCOc1cccc2cc(C(C)NC(=O)C(N)c3ccc(C)cc3)oc12.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-4-25-17-7-5-6-16-12-18(26-20(16)17)14(3)23-21(24)19(22)15-10-8-13(2)9-11-15;/h5-12,14,19H,4,22H2,1-3H3,(H,23,24);1H
InChIKeyRQFGBIZLWPFEKM-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.44
Rot. Bonds6

About 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120666808) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120666808
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCCOc1cccc2cc(C(C)NC(=O)C(N)c3ccc(C)cc3)oc12.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-4-25-17-7-5-6-16-12-18(26-20(16)17)14(3)23-21(24)19(22)15-10-8-13(2)9-11-15;/h5-12,14,19H,4,22H2,1-3H3,(H,23,24);1H
InChIKeyRQFGBIZLWPFEKM-UHFFFAOYSA-N
XLogP4.44
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55396325
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120666808) is 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride is CCOc1cccc2cc(C(C)NC(=O)C(N)c3ccc(C)cc3)oc12.Cl.
What is the InChIKey of 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is RQFGBIZLWPFEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-4-25-17-7-5-6-16-12-18(26-20(16)17)14(3)23-21(24)19(22)15-10-8-13(2)9-11-15;/h5-12,14,19H,4,22H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120666808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).