N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C17H24N2O2 — CID 4129845

IUPACN-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-2-3-10-18-17(21)15-12-16(20)19(13-15)11-9-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,18,21)
InChIKeyWNRLDZFOJZZGLU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds7

About N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4129845) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4129845
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-2-3-10-18-17(21)15-12-16(20)19(13-15)11-9-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,18,21)
InChIKeyWNRLDZFOJZZGLU-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4129845) is N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WNRLDZFOJZZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-10-18-17(21)15-12-16(20)19(13-15)11-9-14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3,(H,18,21).
What are the key properties of N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4129845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).