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

C15H26N2O2 — CID 3236135

IUPACN-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-2-3-9-16-15(19)12-10-14(18)17(11-12)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyDDYLZWUPYQTMKJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds5

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

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3236135) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3236135
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-2-3-9-16-15(19)12-10-14(18)17(11-12)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyDDYLZWUPYQTMKJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
1-cyclohexyl-N-[2-(methylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110631722
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3236135) is N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DDYLZWUPYQTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-9-16-15(19)12-10-14(18)17(11-12)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-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 N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3236135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).