(2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H23NO6 — CID 162667229

IUPAC(2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)oc2c1
InChIInChI=1S/C21H23NO6/c1-5-8-27-13-6-7-14-15(11-13)28-21(22)18(14)19(23)12-9-16(24-2)20(26-4)17(10-12)25-3/h6-7,9-11H,5,8,22H2,1-4H3
InChIKeyYKJLKQIYJZORSI-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.06
Rot. Bonds8

About (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162667229) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162667229
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)oc2c1
InChIInChI=1S/C21H23NO6/c1-5-8-27-13-6-7-14-15(11-13)28-21(22)18(14)19(23)12-9-16(24-2)20(26-4)17(10-12)25-3/h6-7,9-11H,5,8,22H2,1-4H3
InChIKeyYKJLKQIYJZORSI-UHFFFAOYSA-N
XLogP4.06
TPSA93.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

(2-Amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880117
Tubulin polymerization-IN-13
CID 162665763
(2-Amino-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162667200
(2-Amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162673436
2-(4-N-Methylpiperazino)-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-benzo[b]furan
CID 11510481
[7-Hydroxy-2-(2-hydroxyethylamino)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24786556
(3-Amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44579735
[2-(3-Amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56676497
(2-Amino-6-fluoro-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162643743
(2-Amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162664091
(2,5-Diamino-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162669594
(2-Amino-7-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162671879

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162667229) is (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)oc2c1.
What is the InChIKey of (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YKJLKQIYJZORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-5-8-27-13-6-7-14-15(11-13)28-21(22)18(14)19(23)12-9-16(24-2)20(26-4)17(10-12)25-3/h6-7,9-11H,5,8,22H2,1-4H3.
What are the key properties of (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.42 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162667229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).