methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate

C24H27NO9 — CID 59138490

IUPACmethyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H27NO9/c1-25(12-19(26)32-5)11-18-20(14-7-8-15(29-2)22(28)23(14)34-18)21(27)13-9-16(30-3)24(33-6)17(10-13)31-4/h7-10,28H,11-12H2,1-6H3
InChIKeyLNIQYWRMYRKERM-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.01
Rot. Bonds10

About methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate

methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate (PubChem CID 59138490) has the molecular formula C24H27NO9 and a molecular weight of 473.48 g/mol. Its IUPAC name is methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
PubChem CID59138490
Molecular FormulaC24H27NO9
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Namemethyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H27NO9/c1-25(12-19(26)32-5)11-18-20(14-7-8-15(29-2)22(28)23(14)34-18)21(27)13-9-16(30-3)24(33-6)17(10-13)31-4/h7-10,28H,11-12H2,1-6H3
InChIKeyLNIQYWRMYRKERM-UHFFFAOYSA-N
XLogP3.01
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate with MolForge

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Related Compounds

(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
CID 69328888
methyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138496
(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11546673
tert-butyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138486
[1-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]-3,3-dimethylbutan-2-yl] carbamate
CID 24880183
[7-hydroxy-6-methoxy-2-(pyridin-3-ylamino)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24880182
[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
CID 144935289
[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968982
[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 143274528
(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 143584965
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate?
The IUPAC name of methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate (CID 59138490) is methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate is COC(=O)CN(C)Cc1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate?
The InChIKey is LNIQYWRMYRKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO9/c1-25(12-19(26)32-5)11-18-20(14-7-8-15(29-2)22(28)23(14)34-18)21(27)13-9-16(30-3)24(33-6)17(10-13)31-4/h7-10,28H,11-12H2,1-6H3.
What are the key properties of methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate?
methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate has a molecular weight of 473.48 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate is sourced from PubChem (CID 59138490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).