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

C21H24N2O2 — CID 4245970

IUPAC5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c24-20-15-19(16-23(20)14-12-18-9-5-2-6-10-18)21(25)22-13-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,25)
InChIKeyPOIJQMZMBNGJPK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.44
Rot. Bonds7

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

5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4245970) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4245970
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c24-20-15-19(16-23(20)14-12-18-9-5-2-6-10-18)21(25)22-13-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,25)
InChIKeyPOIJQMZMBNGJPK-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4245970) is 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is POIJQMZMBNGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-15-19(16-23(20)14-12-18-9-5-2-6-10-18)21(25)22-13-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,25).
What are the key properties of 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4245970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).