N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide

C21H24N2O3 — CID 51361524

IUPACN-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-21(20(25)22-16-17-8-4-2-5-9-17)13-12-19(24)23(21)14-15-26-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,25)
InChIKeyVZMYFLFAMGUIDL-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.76
Rot. Bonds7

About N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide

N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 51361524) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide
PubChem CID51361524
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-21(20(25)22-16-17-8-4-2-5-9-17)13-12-19(24)23(21)14-15-26-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,25)
InChIKeyVZMYFLFAMGUIDL-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide (CID 51361524) is N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NCc2ccccc2)CCC(=O)N1CCOc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is VZMYFLFAMGUIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(20(25)22-16-17-8-4-2-5-9-17)13-12-19(24)23(21)14-15-26-18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,22,25).
What are the key properties of N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide?
N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-oxo-1-(2-phenoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51361524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).