1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide

C25H31N3O4 — CID 43067669

IUPAC1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1
InChIInChI=1S/C25H31N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21H,3-4,12-13,15-17H2,1-2H3,(H,26,30)
InChIKeyULLGETDXDSTKDB-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.84
Rot. Bonds9

About 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43067669) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43067669
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1
InChIInChI=1S/C25H31N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21H,3-4,12-13,15-17H2,1-2H3,(H,26,30)
InChIKeyULLGETDXDSTKDB-UHFFFAOYSA-N
XLogP2.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84503527
(3R)-1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94045971
1-(1,3-benzodioxol-5-yl)-5-oxo-N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 4910805
1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 108803813
1-(1,3-benzodioxol-5-yl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 84503542
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110626565
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16583548
N-(2-amino-2-phenylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119528051
1-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46589077
1-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46589659
1-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46432040
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 2552039

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide (CID 43067669) is 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(CNC(=O)C1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ULLGETDXDSTKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-3-27(4-2)21(12-18-8-6-5-7-9-18)15-26-25(30)19-13-24(29)28(16-19)20-10-11-22-23(14-20)32-17-31-22/h5-11,14,19,21H,3-4,12-13,15-17H2,1-2H3,(H,26,30).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[2-(diethylamino)-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43067669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).