2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

C16H23N3O2 — CID 3221284

IUPAC2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-2-3-11-17-15(20)14-10-7-12-19(14)16(21)18-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyJPGUGCKELCPCGZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.60
Rot. Bonds5

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

2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3221284) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3221284
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-2-3-11-17-15(20)14-10-7-12-19(14)16(21)18-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyJPGUGCKELCPCGZ-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3221284) is 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is CCCCNC(=O)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is JPGUGCKELCPCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-3-11-17-15(20)14-10-7-12-19(14)16(21)18-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).