2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

C20H24N2O — CID 75889825

IUPAC2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)
InChIKeyIVUPASHRICVTHO-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.17
Rot. Bonds5

About 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (PubChem CID 75889825) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
PubChem CID75889825
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)
InChIKeyIVUPASHRICVTHO-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (CID 75889825) is 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is IVUPASHRICVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23).
What are the key properties of 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75889825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).