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

C15H26N2O2 — CID 3245728

IUPAC1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-2-3-9-17-11-12(10-14(17)18)15(19)16-13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyCAWRFEYJIQJOGF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds5

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

1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3245728) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3245728
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C15H26N2O2/c1-2-3-9-17-11-12(10-14(17)18)15(19)16-13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyCAWRFEYJIQJOGF-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3245728) is 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CAWRFEYJIQJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-9-17-11-12(10-14(17)18)15(19)16-13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3245728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).