2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide

C15H27N3O3 — CID 3050864

IUPAC2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C
InChIInChI=1S/C15H27N3O3/c1-5-9-16-12(19)10-17-14(21)11(6-2)18-13(20)7-8-15(18,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,21)
InChIKeyKHAOPDFAOXLFSA-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.81
Rot. Bonds7

About 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide

2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide (PubChem CID 3050864) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
PubChem CID3050864
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C
InChIInChI=1S/C15H27N3O3/c1-5-9-16-12(19)10-17-14(21)11(6-2)18-13(20)7-8-15(18,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,21)
InChIKeyKHAOPDFAOXLFSA-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The IUPAC name of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide (CID 3050864) is 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The canonical SMILES for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide is CCCNC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The InChIKey is KHAOPDFAOXLFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-9-16-12(19)10-17-14(21)11(6-2)18-13(20)7-8-15(18,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide has a molecular weight of 297.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 3050864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).