N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide

C17H24N2O2 — CID 78982591

IUPACN-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CC)C(NC(=O)C1CNC(=O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-12(4-2)16(13-8-6-5-7-9-13)19-17(21)14-10-15(20)18-11-14/h5-9,12,14,16H,3-4,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPFICWHTVUPLTLT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds6

About N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide

N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982591) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78982591
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CC)C(NC(=O)C1CNC(=O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-12(4-2)16(13-8-6-5-7-9-13)19-17(21)14-10-15(20)18-11-14/h5-9,12,14,16H,3-4,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPFICWHTVUPLTLT-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 78982591) is N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide is CCC(CC)C(NC(=O)C1CNC(=O)C1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PFICWHTVUPLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-12(4-2)16(13-8-6-5-7-9-13)19-17(21)14-10-15(20)18-11-14/h5-9,12,14,16H,3-4,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).