ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate

C21H21NO7 — CID 7117039

IUPACethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H21NO7/c1-5-28-21(24)19-17(13-8-6-7-9-14(13)29-19)22-20(23)12-10-15(25-2)18(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3,(H,22,23)
InChIKeyMFHWPUOZTCVZLE-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.89
Rot. Bonds7

About ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 7117039) has the molecular formula C21H21NO7 and a molecular weight of 399.40 g/mol. Its IUPAC name is ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
PubChem CID7117039
Molecular FormulaC21H21NO7
Molecular Weight399.40 g/mol
Exact Mass399.13
IUPAC Nameethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H21NO7/c1-5-28-21(24)19-17(13-8-6-7-9-14(13)29-19)22-20(23)12-10-15(25-2)18(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3,(H,22,23)
InChIKeyMFHWPUOZTCVZLE-UHFFFAOYSA-N
XLogP3.89
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-1-benzofuran-2-carboxylate
CID 16814961
ethyl 3-[(5-chloro-2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117043
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate (CID 7117039) is ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is MFHWPUOZTCVZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO7/c1-5-28-21(24)19-17(13-8-6-7-9-14(13)29-19)22-20(23)12-10-15(25-2)18(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3,(H,22,23).
What are the key properties of ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 399.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7117039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).