benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate

C26H25NO3 — CID 46884786

IUPACbenzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate
SMILESO=C(c1ccccc1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H25NO3/c28-24(23-15-8-3-9-16-23)27-18-10-17-26(27,19-21-11-4-1-5-12-21)25(29)30-20-22-13-6-2-7-14-22/h1-9,11-16H,10,17-20H2
InChIKeyCSOHPLLDZRUYES-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.65
Rot. Bonds6

About benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate

benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate (PubChem CID 46884786) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate
PubChem CID46884786
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Namebenzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate
SMILESO=C(c1ccccc1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H25NO3/c28-24(23-15-8-3-9-16-23)27-18-10-17-26(27,19-21-11-4-1-5-12-21)25(29)30-20-22-13-6-2-7-14-22/h1-9,11-16H,10,17-20H2
InChIKeyCSOHPLLDZRUYES-UHFFFAOYSA-N
XLogP4.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate?
The IUPAC name of benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate (CID 46884786) is benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate is O=C(c1ccccc1)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate?
The InChIKey is CSOHPLLDZRUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c28-24(23-15-8-3-9-16-23)27-18-10-17-26(27,19-21-11-4-1-5-12-21)25(29)30-20-22-13-6-2-7-14-22/h1-9,11-16H,10,17-20H2.
What are the key properties of benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate?
benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-benzoyl-2-benzylpyrrolidine-2-carboxylate is sourced from PubChem (CID 46884786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).