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

C22H23NO9 — CID 69328888

IUPACmethyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
SMILESCOC(=O)C(N)c1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H23NO9/c1-27-12-7-6-11-15(21(16(23)22(26)31-5)32-19(11)18(12)25)17(24)10-8-13(28-2)20(30-4)14(9-10)29-3/h6-9,16,25H,23H2,1-5H3
InChIKeyDNMAGCXCLQOEOG-UHFFFAOYSA-N
MW445.42 g/mol
LogP2.58
Rot. Bonds8

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

methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate (PubChem CID 69328888) has the molecular formula C22H23NO9 and a molecular weight of 445.42 g/mol. Its IUPAC name is methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
PubChem CID69328888
Molecular FormulaC22H23NO9
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC Namemethyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
SMILESCOC(=O)C(N)c1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H23NO9/c1-27-12-7-6-11-15(21(16(23)22(26)31-5)32-19(11)18(12)25)17(24)10-8-13(28-2)20(30-4)14(9-10)29-3/h6-9,16,25H,23H2,1-5H3
InChIKeyDNMAGCXCLQOEOG-UHFFFAOYSA-N
XLogP2.58
TPSA139.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]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
[1-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]-3,3-dimethylbutan-2-yl] carbamate
CID 24880183
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
methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
CID 59138490
tert-butyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138486
[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
methyl 2-amino-3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
CID 11065938
(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 143584965
(2S)-2-amino-3-hydroxy-N-[6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]propanamide;hydrochloride
CID 57462252
[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90859647

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate?
The IUPAC name of methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate (CID 69328888) is methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate is COC(=O)C(N)c1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate?
The InChIKey is DNMAGCXCLQOEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO9/c1-27-12-7-6-11-15(21(16(23)22(26)31-5)32-19(11)18(12)25)17(24)10-8-13(28-2)20(30-4)14(9-10)29-3/h6-9,16,25H,23H2,1-5H3.
What are the key properties of methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate?
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate has a molecular weight of 445.42 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate is sourced from PubChem (CID 69328888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).