3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one

C20H23NO2 — CID 6453

💊View drug profile → amolanone
IUPAC3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
SMILESCCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3
InChIKeyHPITVGRITATAFY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.62
Rot. Bonds6

About 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one

3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one (PubChem CID 6453) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
PubChem CID6453
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
SMILESCCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21
InChIInChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3
InChIKeyHPITVGRITATAFY-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Amolanone Hydrochloride
CID 70683055
2-(4-Methoxyphenyl)ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
CID 122194370
Ethyl 1-(2-phenoxyethyl)-4-phenylpiperidine-4-carboxylate
CID 29236
2(3H)-Benzofuranone, 3-cyclohexyl-3-(2-(diethylamino)ethyl)-, hydrochloride
CID 45289
2(3H)-Benzofuranone, 3-(2-(dibutylamino)ethyl)-3-phenyl-, hydrochloride
CID 45291
2(3H)-Benzofuranone, 3-(3-(dibutylamino)propyl)-3-phenyl-, hydrochloride
CID 45293
2(3H)-Benzofuranone, 3-(2-(diethylamino)ethyl)-5-methyl-3-phenyl-, hydrochloride
CID 45295
2(3H)-Benzofuranone, 3-((2-diethylamino-1-methyl)ethyl)-3-phenyl-, hydrochloride
CID 45297
2(3H)-Benzofuranone, 3-((2-diethylamino-2-methyl)ethyl)-3-phenyl-, hydrochloride
CID 45299
2(3H)-Benzofuranone, 3-(3-(diethylamino)propyl)-3-phenyl-, hydrochloride
CID 45301
2(3H)-Benzofuranone, 3-(11-(diethylamino)undecyl)-3-phenyl-, hydrochloride
CID 45303
2(3H)-Benzofuranone, 3-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
CID 45305

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one (CID 6453) is 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one is CCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one?
The InChIKey is HPITVGRITATAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one?
3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one is sourced from PubChem (CID 6453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).