N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide

C21H24N2O2 — CID 110415478

IUPACN-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16(2)22(15-17-9-5-3-6-10-17)21(25)19-13-14-20(24)23(19)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3
InChIKeyNORYRZARTVUPIS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide

N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 110415478) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID110415478
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16(2)22(15-17-9-5-3-6-10-17)21(25)19-13-14-20(24)23(19)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3
InChIKeyNORYRZARTVUPIS-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 110415478) is N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is NORYRZARTVUPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(2)22(15-17-9-5-3-6-10-17)21(25)19-13-14-20(24)23(19)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3.
What are the key properties of N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide?
N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110415478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).