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

C19H19NO6 — CID 44579735

IUPAC(3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C19H19NO6/c1-22-11-5-6-12-13(9-11)26-19(16(12)20)17(21)10-7-14(23-2)18(25-4)15(8-10)24-3/h5-9H,20H2,1-4H3
InChIKeyJXNJKFBJFMHLKN-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.28
Rot. Bonds6

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

(3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44579735) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44579735
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C19H19NO6/c1-22-11-5-6-12-13(9-11)26-19(16(12)20)17(21)10-7-14(23-2)18(25-4)15(8-10)24-3/h5-9H,20H2,1-4H3
InChIKeyJXNJKFBJFMHLKN-UHFFFAOYSA-N
XLogP3.28
TPSA93.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
CID 693230
Methyl 6-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
CID 118737775
Methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
CID 118737777
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
(3-Amino-5-methoxy-benzofuran-2-yl)-phenyl-methanone
CID 698980
N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3236099
Ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 3241101
[3-(Dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25141435
[3-(Dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44579690
N-[6-methoxy-2-(3,4,5-trimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
CID 44579691

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 44579735) is (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JXNJKFBJFMHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-11-5-6-12-13(9-11)26-19(16(12)20)17(21)10-7-14(23-2)18(25-4)15(8-10)24-3/h5-9H,20H2,1-4H3.
What are the key properties of (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 357.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44579735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).