N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide

C26H21NO6 — CID 23473308

IUPACN-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)cc1
InChIInChI=1S/C26H21NO6/c1-2-16-7-10-18(11-8-16)30-14-23(28)27-24-19-5-3-4-6-20(19)33-26(24)25(29)17-9-12-21-22(13-17)32-15-31-21/h3-13H,2,14-15H2,1H3,(H,27,28)
InChIKeyCKQBBGZAQWJTIM-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide

N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 23473308) has the molecular formula C26H21NO6 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
PubChem CID23473308
Molecular FormulaC26H21NO6
Molecular Weight443.46 g/mol
Exact Mass443.14
IUPAC NameN-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)cc1
InChIInChI=1S/C26H21NO6/c1-2-16-7-10-18(11-8-16)30-14-23(28)27-24-19-5-3-4-6-20(19)33-26(24)25(29)17-9-12-21-22(13-17)32-15-31-21/h3-13H,2,14-15H2,1H3,(H,27,28)
InChIKeyCKQBBGZAQWJTIM-UHFFFAOYSA-N
XLogP4.97
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
CID 18829862
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-nitrophenoxy)acetamide
CID 1418905
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
N-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-benzofuran-3-yl]-4-fluorobenzamide
CID 23473376
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4783374
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2207639
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide (CID 23473308) is N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)cc1.
What is the InChIKey of N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is CKQBBGZAQWJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO6/c1-2-16-7-10-18(11-8-16)30-14-23(28)27-24-19-5-3-4-6-20(19)33-26(24)25(29)17-9-12-21-22(13-17)32-15-31-21/h3-13H,2,14-15H2,1H3,(H,27,28).
What are the key properties of N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide?
N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 443.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxole-5-carbonyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 23473308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).