3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide

C15H28N2O2 — CID 132501275

IUPAC3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide
SMILESCCCCCNC(=O)C(N1CCCC1=O)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-5-6-7-10-16-14(19)13(15(2,3)4)17-11-8-9-12(17)18/h13H,5-11H2,1-4H3,(H,16,19)
InChIKeyNGYFVOBKBXSFNZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds6

About 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide

3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide (PubChem CID 132501275) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide
PubChem CID132501275
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide
SMILESCCCCCNC(=O)C(N1CCCC1=O)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-5-6-7-10-16-14(19)13(15(2,3)4)17-11-8-9-12(17)18/h13H,5-11H2,1-4H3,(H,16,19)
InChIKeyNGYFVOBKBXSFNZ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide?
The IUPAC name of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide (CID 132501275) is 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide.
What is the SMILES notation for 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide?
The canonical SMILES for 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide is CCCCCNC(=O)C(N1CCCC1=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide?
The InChIKey is NGYFVOBKBXSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-6-7-10-16-14(19)13(15(2,3)4)17-11-8-9-12(17)18/h13H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide?
3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide has a molecular weight of 268.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)-N-pentylbutanamide is sourced from PubChem (CID 132501275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).