N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C22H24N2O4 — CID 51154778

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c25-21-12-17(14-24(21)11-10-16-6-2-1-3-7-16)22(26)23-13-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,17-18H,10-15H2,(H,23,26)
InChIKeyZYOTXULCXSUFGB-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.03
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 51154778) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID51154778
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c25-21-12-17(14-24(21)11-10-16-6-2-1-3-7-16)22(26)23-13-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,17-18H,10-15H2,(H,23,26)
InChIKeyZYOTXULCXSUFGB-UHFFFAOYSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 51154778) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCC1COc2ccccc2O1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZYOTXULCXSUFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21-12-17(14-24(21)11-10-16-6-2-1-3-7-16)22(26)23-13-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,17-18H,10-15H2,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51154778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).