[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone

C20H21NO3 — CID 11551551

IUPAC[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc2cc(C(=O)c3cccc(OC)c3)oc2c1
InChIInChI=1S/C20H21NO3/c1-4-21(5-2)16-10-9-14-12-19(24-18(14)13-16)20(22)15-7-6-8-17(11-15)23-3/h6-13H,4-5H2,1-3H3
InChIKeyXVVJBQDXVNGRQW-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.52
Rot. Bonds6

About [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone

[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 11551551) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
PubChem CID11551551
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc2cc(C(=O)c3cccc(OC)c3)oc2c1
InChIInChI=1S/C20H21NO3/c1-4-21(5-2)16-10-9-14-12-19(24-18(14)13-16)20(22)15-7-6-8-17(11-15)23-3/h6-13H,4-5H2,1-3H3
InChIKeyXVVJBQDXVNGRQW-UHFFFAOYSA-N
XLogP4.52
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(6,7-dimethoxy-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 155803415
(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82082014
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 11012943
1-benzofuran-2-yl-[3-(difluoromethoxy)phenyl]methanone
CID 43145532
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
[5-(chloromethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82087506
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
3-[6-(diethylamino)-1-benzofuran-2-yl]-2,5-dimethoxybenzaldehyde
CID 87846212
3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108697204

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone (CID 11551551) is [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone is CCN(CC)c1ccc2cc(C(=O)c3cccc(OC)c3)oc2c1.
What is the InChIKey of [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is XVVJBQDXVNGRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-21(5-2)16-10-9-14-12-19(24-18(14)13-16)20(22)15-7-6-8-17(11-15)23-3/h6-13H,4-5H2,1-3H3.
What are the key properties of [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone?
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 323.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 11551551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).