[3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H23NO6 — CID 44579690

IUPAC[3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2oc3c(OC)cccc3c2N(C)C)cc(OC)c1OC
InChIInChI=1S/C21H23NO6/c1-22(2)17-13-8-7-9-14(24-3)19(13)28-21(17)18(23)12-10-15(25-4)20(27-6)16(11-12)26-5/h7-11H,1-6H3
InChIKeyUKWYEJVNRIZDGJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.76
Rot. Bonds7

About [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 44579690) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID44579690
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2oc3c(OC)cccc3c2N(C)C)cc(OC)c1OC
InChIInChI=1S/C21H23NO6/c1-22(2)17-13-8-7-9-14(24-3)19(13)28-21(17)18(23)12-10-15(25-4)20(27-6)16(11-12)26-5/h7-11H,1-6H3
InChIKeyUKWYEJVNRIZDGJ-UHFFFAOYSA-N
XLogP3.76
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethoxy-3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71463022
ST081873
CID 1045996
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
2-(3,4-diethoxyphenyl)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 1046076
3-methoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 1051477
N-[2-Methoxy-4-(3,4,5-triethoxybenzamido)phenyl]-1-benzofuran-2-carboxamide
CID 2891320
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-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 3245228
3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 4289361
[3-(Dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25141435

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 44579690) is [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2oc3c(OC)cccc3c2N(C)C)cc(OC)c1OC.
What is the InChIKey of [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UKWYEJVNRIZDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-22(2)17-13-8-7-9-14(24-3)19(13)28-21(17)18(23)12-10-15(25-4)20(27-6)16(11-12)26-5/h7-11H,1-6H3.
What are the key properties of [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-7-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 44579690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).