2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C17H25N3O3 — CID 656350

IUPAC2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H25N3O3/c1-3-4-10-18-16(21)15-9-6-11-20(15)17(22)19-13-7-5-8-14(12-13)23-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQUPOBSOOZUZGRS-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.61
Rot. Bonds6

About 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 656350) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID656350
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H25N3O3/c1-3-4-10-18-16(21)15-9-6-11-20(15)17(22)19-13-7-5-8-14(12-13)23-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQUPOBSOOZUZGRS-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 656350) is 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is CCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QUPOBSOOZUZGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-4-10-18-16(21)15-9-6-11-20(15)17(22)19-13-7-5-8-14(12-13)23-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 656350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).