1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide

C20H23N3O2 — CID 4919428

IUPAC1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(21-14-13-16-8-3-1-4-9-16)18-12-7-15-23(18)20(25)22-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,25)
InChIKeyAFCKUAUSSVLYEZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.04
Rot. Bonds5

About 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide

1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 4919428) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID4919428
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(21-14-13-16-8-3-1-4-9-16)18-12-7-15-23(18)20(25)22-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,25)
InChIKeyAFCKUAUSSVLYEZ-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide (CID 4919428) is 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is AFCKUAUSSVLYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(21-14-13-16-8-3-1-4-9-16)18-12-7-15-23(18)20(25)22-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,25).
What are the key properties of 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide?
1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 4919428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).