4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide

C21H20N2O5 — CID 2219830

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
SMILESCOc1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)oc1ccccc12
InChIInChI=1S/C21H20N2O5/c1-27-18-11-14-13-5-2-3-6-16(13)28-17(14)12-15(18)22-19(24)7-4-10-23-20(25)8-9-21(23)26/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,22,24)
InChIKeyMIUYZSYJEAOWML-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.46
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide (PubChem CID 2219830) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
PubChem CID2219830
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
SMILESCOc1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)oc1ccccc12
InChIInChI=1S/C21H20N2O5/c1-27-18-11-14-13-5-2-3-6-16(13)28-17(14)12-15(18)22-19(24)7-4-10-23-20(25)8-9-21(23)26/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,22,24)
InChIKeyMIUYZSYJEAOWML-UHFFFAOYSA-N
XLogP3.46
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)hexanamide
CID 2219851
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 30855514
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
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
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38898960
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide (CID 2219830) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide is COc1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)oc1ccccc12.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide?
The InChIKey is MIUYZSYJEAOWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-18-11-14-13-5-2-3-6-16(13)28-17(14)12-15(18)22-19(24)7-4-10-23-20(25)8-9-21(23)26/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,22,24).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide has a molecular weight of 380.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide is sourced from PubChem (CID 2219830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).