benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate

C22H26N2O3 — CID 46884739

IUPACbenzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCCNC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-2-23-21(26)24-15-9-14-22(24,16-18-10-5-3-6-11-18)20(25)27-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,23,26)
InChIKeyLZFIENNGPGPYQG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.54
Rot. Bonds6

About benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate

benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate (PubChem CID 46884739) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
PubChem CID46884739
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCCNC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-2-23-21(26)24-15-9-14-22(24,16-18-10-5-3-6-11-18)20(25)27-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,23,26)
InChIKeyLZFIENNGPGPYQG-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate (CID 46884739) is benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate is CCNC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate?
The InChIKey is LZFIENNGPGPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-23-21(26)24-15-9-14-22(24,16-18-10-5-3-6-11-18)20(25)27-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,23,26).
What are the key properties of benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate?
benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 46884739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).