2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide

C14H25N3O2 — CID 119535176

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCC(C(=O)NCCC1CCNC1)N1CCCC1=O
InChIInChI=1S/C14H25N3O2/c1-2-12(17-9-3-4-13(17)18)14(19)16-8-6-11-5-7-15-10-11/h11-12,15H,2-10H2,1H3,(H,16,19)
InChIKeyLTRDPJXIIIRPQE-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide

2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide (PubChem CID 119535176) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
PubChem CID119535176
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCC(C(=O)NCCC1CCNC1)N1CCCC1=O
InChIInChI=1S/C14H25N3O2/c1-2-12(17-9-3-4-13(17)18)14(19)16-8-6-11-5-7-15-10-11/h11-12,15H,2-10H2,1H3,(H,16,19)
InChIKeyLTRDPJXIIIRPQE-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
CID 119464087
4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
(2R)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 129428982
(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97218671
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
CID 119389775
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
CID 176985779

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide (CID 119535176) is 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide is CCC(C(=O)NCCC1CCNC1)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
The InChIKey is LTRDPJXIIIRPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-12(17-9-3-4-13(17)18)14(19)16-8-6-11-5-7-15-10-11/h11-12,15H,2-10H2,1H3,(H,16,19).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide is sourced from PubChem (CID 119535176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).