N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

C22H25N3O4 — CID 110626566

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCC(=O)N1c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H25N3O4/c1-24(2)18(15-8-10-19-20(12-15)29-14-28-19)13-23-22(27)17-9-11-21(26)25(17)16-6-4-3-5-7-16/h3-8,10,12,17-18H,9,11,13-14H2,1-2H3,(H,23,27)
InChIKeyDLSBDMKGXVBCNE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110626566) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110626566
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCC(=O)N1c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H25N3O4/c1-24(2)18(15-8-10-19-20(12-15)29-14-28-19)13-23-22(27)17-9-11-21(26)25(17)16-6-4-3-5-7-16/h3-8,10,12,17-18H,9,11,13-14H2,1-2H3,(H,23,27)
InChIKeyDLSBDMKGXVBCNE-UHFFFAOYSA-N
XLogP2.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110626565
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110606566
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 110287448
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(2-methylphenyl)butanamide
CID 110427605
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
1-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46589077
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 42896409
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42456370

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110626566) is N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is CN(C)C(CNC(=O)C1CCC(=O)N1c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is DLSBDMKGXVBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-24(2)18(15-8-10-19-20(12-15)29-14-28-19)13-23-22(27)17-9-11-21(26)25(17)16-6-4-3-5-7-16/h3-8,10,12,17-18H,9,11,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110626566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).