N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H26N2O2 — CID 2883757

IUPACN-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c24-19-9-17(13-23(19)18-4-2-1-3-5-18)20(25)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,14-17H,6-13H2,(H,22,25)
InChIKeyFNVPHPQIQWYIIJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.12
Rot. Bonds3

About N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2883757) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID2883757
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c24-19-9-17(13-23(19)18-4-2-1-3-5-18)20(25)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,14-17H,6-13H2,(H,22,25)
InChIKeyFNVPHPQIQWYIIJ-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 2883757) is N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is FNVPHPQIQWYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-19-9-17(13-23(19)18-4-2-1-3-5-18)20(25)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,14-17H,6-13H2,(H,22,25).
What are the key properties of N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2883757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).