(2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO6 — CID 162672500

IUPAC(2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1cccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)oc12
InChIInChI=1S/C20H21NO6/c1-5-26-13-8-6-7-12-16(20(21)27-18(12)13)17(22)11-9-14(23-2)19(25-4)15(10-11)24-3/h6-10H,5,21H2,1-4H3
InChIKeyRSCPMWPLGKACAG-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.67
Rot. Bonds7

About (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162672500) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162672500
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1cccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)oc12
InChIInChI=1S/C20H21NO6/c1-5-26-13-8-6-7-12-16(20(21)27-18(12)13)17(22)11-9-14(23-2)19(25-4)15(10-11)24-3/h6-10H,5,21H2,1-4H3
InChIKeyRSCPMWPLGKACAG-UHFFFAOYSA-N
XLogP3.67
TPSA93.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162672500) is (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCOc1cccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)oc12.
What is the InChIKey of (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RSCPMWPLGKACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-5-26-13-8-6-7-12-16(20(21)27-18(12)13)17(22)11-9-14(23-2)19(25-4)15(10-11)24-3/h6-10H,5,21H2,1-4H3.
What are the key properties of (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 371.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-ethoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162672500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).