(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C26H21NO6 — CID 2207639

IUPAC(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1
InChIInChI=1S/C26H21NO6/c1-2-30-17-13-11-16(12-14-17)24(28)25-23(18-7-3-4-8-19(18)33-25)27-26(29)22-15-31-20-9-5-6-10-21(20)32-22/h3-14,22H,2,15H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyFEHIKLABPBPUSR-JOCHJYFZSA-N
MW443.46 g/mol
LogP4.84
Rot. Bonds6

About (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2207639) has the molecular formula C26H21NO6 and a molecular weight of 443.46 g/mol. Its IUPAC name is (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2207639
Molecular FormulaC26H21NO6
Molecular Weight443.46 g/mol
Exact Mass443.14
IUPAC Name(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1
InChIInChI=1S/C26H21NO6/c1-2-30-17-13-11-16(12-14-17)24(28)25-23(18-7-3-4-8-19(18)33-25)27-26(29)22-15-31-20-9-5-6-10-21(20)32-22/h3-14,22H,2,15H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyFEHIKLABPBPUSR-JOCHJYFZSA-N
XLogP4.84
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4057986
(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096372
(3R)-N-[2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 35043971
(3S)-N-[2-(4-ethoxyphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8873811
(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 857312
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
3-[[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]amino]-3H-2-benzofuran-1-one
CID 19245179
(3R)-N'-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7940854
(3R)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5406917
4-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-3-nitrobenzamide
CID 18847930
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2207639) is (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1.
What is the InChIKey of (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is FEHIKLABPBPUSR-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H21NO6/c1-2-30-17-13-11-16(12-14-17)24(28)25-23(18-7-3-4-8-19(18)33-25)27-26(29)22-15-31-20-9-5-6-10-21(20)32-22/h3-14,22H,2,15H2,1H3,(H,27,29)/t22-/m1/s1.
What are the key properties of (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2207639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).