2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C21H23N3O5 — CID 3219718

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H23N3O5/c1-27-17-7-3-2-5-15(17)23-21(26)24-10-4-6-16(24)20(25)22-14-8-9-18-19(13-14)29-12-11-28-18/h2-3,5,7-9,13,16H,4,6,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyAHDFEMQVARTUIA-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.10
Rot. Bonds4

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3219718) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3219718
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H23N3O5/c1-27-17-7-3-2-5-15(17)23-21(26)24-10-4-6-16(24)20(25)22-14-8-9-18-19(13-14)29-12-11-28-18/h2-3,5,7-9,13,16H,4,6,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyAHDFEMQVARTUIA-UHFFFAOYSA-N
XLogP3.10
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3219718) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is AHDFEMQVARTUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-27-17-7-3-2-5-15(17)23-21(26)24-10-4-6-16(24)20(25)22-14-8-9-18-19(13-14)29-12-11-28-18/h2-3,5,7-9,13,16H,4,6,10-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).