N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

C15H26N2O2 — CID 3409834

IUPACN-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-3-11-16-15(19)13-9-10-14(18)17(13)12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyNIGXNSJQUDLHSM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.23
Rot. Bonds5

About N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 3409834) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
PubChem CID3409834
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-3-11-16-15(19)13-9-10-14(18)17(13)12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyNIGXNSJQUDLHSM-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
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 N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide (CID 3409834) is N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NIGXNSJQUDLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-11-16-15(19)13-9-10-14(18)17(13)12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3409834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).