5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide

C23H23N3O2 — CID 46861285

IUPAC5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)cc1
InChIInChI=1S/C23H23N3O2/c1-25(2)18-10-8-17(9-11-18)24-23(28)19-14-15-26-20(19)12-13-21(26)22(27)16-6-4-3-5-7-16/h3-13,19H,14-15H2,1-2H3,(H,24,28)
InChIKeyFFPAXTRQUWKDTJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.91
Rot. Bonds5

About 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide

5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide (PubChem CID 46861285) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
PubChem CID46861285
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)cc1
InChIInChI=1S/C23H23N3O2/c1-25(2)18-10-8-17(9-11-18)24-23(28)19-14-15-26-20(19)12-13-21(26)22(27)16-6-4-3-5-7-16/h3-13,19H,14-15H2,1-2H3,(H,24,28)
InChIKeyFFPAXTRQUWKDTJ-UHFFFAOYSA-N
XLogP3.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide (CID 46861285) is 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide is CN(C)c1ccc(NC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)cc1.
What is the InChIKey of 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is FFPAXTRQUWKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-25(2)18-10-8-17(9-11-18)24-23(28)19-14-15-26-20(19)12-13-21(26)22(27)16-6-4-3-5-7-16/h3-13,19H,14-15H2,1-2H3,(H,24,28).
What are the key properties of 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-[4-(dimethylamino)phenyl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 46861285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).