1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide

C19H21N3O2 — CID 3219634

IUPAC1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(21-16-10-5-2-6-11-16)17-12-7-13-22(17)19(24)20-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,24)(H,21,23)
InChIKeyTVEANTLESVHQJK-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.00
Rot. Bonds4

About 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide

1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3219634) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3219634
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(21-16-10-5-2-6-11-16)17-12-7-13-22(17)19(24)20-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,24)(H,21,23)
InChIKeyTVEANTLESVHQJK-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3219634) is 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccccc1)C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is TVEANTLESVHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-16-10-5-2-6-11-16)17-12-7-13-22(17)19(24)20-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,20,24)(H,21,23).
What are the key properties of 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).