N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C15H26N2O2 — CID 3988315

IUPACN-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)16-14(19)11-9-13(18)17(10-11)12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyVSODFDLOGVYRCU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds2

About N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3988315) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3988315
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)16-14(19)11-9-13(18)17(10-11)12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyVSODFDLOGVYRCU-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3988315) is N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VSODFDLOGVYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)16-14(19)11-9-13(18)17(10-11)12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3988315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).