N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide

C14H18N2O3 — CID 110663932

IUPACN-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(O)(CNC(=O)C1CCC(=O)N1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(19,10-5-3-2-4-6-10)9-15-13(18)11-7-8-12(17)16-11/h2-6,11,19H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyWRPZIRGTYAPKRY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.29
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide

N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110663932) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110663932
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(O)(CNC(=O)C1CCC(=O)N1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(19,10-5-3-2-4-6-10)9-15-13(18)11-7-8-12(17)16-11/h2-6,11,19H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyWRPZIRGTYAPKRY-UHFFFAOYSA-N
XLogP0.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 110663932) is N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide is CC(O)(CNC(=O)C1CCC(=O)N1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WRPZIRGTYAPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(19,10-5-3-2-4-6-10)9-15-13(18)11-7-8-12(17)16-11/h2-6,11,19H,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110663932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).