2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide

C23H20N2O5 — CID 7962349

IUPAC2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1C(=O)[C@@H]3CC=CC[C@H]3C1=O)oc1ccccc12
InChIInChI=1S/C23H20N2O5/c1-29-20-10-16-13-6-4-5-9-18(13)30-19(16)11-17(20)24-21(26)12-25-22(27)14-7-2-3-8-15(14)23(25)28/h2-6,9-11,14-15H,7-8,12H2,1H3,(H,24,26)/t14-,15-/m1/s1
InChIKeyVFZHFXRSKXVRPA-HUUCEWRRSA-N
MW404.42 g/mol
LogP3.48
Rot. Bonds4

About 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide

2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 7962349) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID7962349
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1C(=O)[C@@H]3CC=CC[C@H]3C1=O)oc1ccccc12
InChIInChI=1S/C23H20N2O5/c1-29-20-10-16-13-6-4-5-9-18(13)30-19(16)11-17(20)24-21(26)12-25-22(27)14-7-2-3-8-15(14)23(25)28/h2-6,9-11,14-15H,7-8,12H2,1H3,(H,24,26)/t14-,15-/m1/s1
InChIKeyVFZHFXRSKXVRPA-HUUCEWRRSA-N
XLogP3.48
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8892864
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 16557436
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
CID 2219830
6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)hexanamide
CID 2219851
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41192882
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 40940422
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
N-(2-methoxydibenzofuran-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2684570

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 7962349) is 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CN1C(=O)[C@@H]3CC=CC[C@H]3C1=O)oc1ccccc12.
What is the InChIKey of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is VFZHFXRSKXVRPA-HUUCEWRRSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-29-20-10-16-13-6-4-5-9-18(13)30-19(16)11-17(20)24-21(26)12-25-22(27)14-7-2-3-8-15(14)23(25)28/h2-6,9-11,14-15H,7-8,12H2,1H3,(H,24,26)/t14-,15-/m1/s1.
What are the key properties of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 404.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 7962349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).