N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C16H26N4O2 — CID 51361559

IUPACN-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H26N4O2/c1-3-4-8-18-15(22)16(2)7-6-14(21)20(16)11-5-10-19-12-9-17-13-19/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyWHJMBERYEMQGBC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.57
Rot. Bonds8

About N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361559) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361559
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H26N4O2/c1-3-4-8-18-15(22)16(2)7-6-14(21)20(16)11-5-10-19-12-9-17-13-19/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22)
InChIKeyWHJMBERYEMQGBC-UHFFFAOYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361559) is N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1(C)CCC(=O)N1CCCn1ccnc1.
What is the InChIKey of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WHJMBERYEMQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-4-8-18-15(22)16(2)7-6-14(21)20(16)11-5-10-19-12-9-17-13-19/h9,12-13H,3-8,10-11H2,1-2H3,(H,18,22).
What are the key properties of N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).