4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide

C24H42N4O4 — CID 67365761

IUPAC4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC(C)=CC1CC(=O)N(CCCC(N)=O)C1.CCCCC1CC(=O)N(CCCC(N)=O)C1
InChIInChI=1S/C12H20N2O2.C12H22N2O2/c1-9(2)6-10-7-12(16)14(8-10)5-3-4-11(13)15;1-2-3-5-10-8-12(16)14(9-10)7-4-6-11(13)15/h6,10H,3-5,7-8H2,1-2H3,(H2,13,15);10H,2-9H2,1H3,(H2,13,15)
InChIKeyDODANIUIFPSFOD-UHFFFAOYSA-N
MW450.62 g/mol
LogP2.36
Rot. Bonds12

About 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide

4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 67365761) has the molecular formula C24H42N4O4 and a molecular weight of 450.62 g/mol. Its IUPAC name is 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID67365761
Molecular FormulaC24H42N4O4
Molecular Weight450.62 g/mol
Exact Mass450.32
IUPAC Name4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC(C)=CC1CC(=O)N(CCCC(N)=O)C1.CCCCC1CC(=O)N(CCCC(N)=O)C1
InChIInChI=1S/C12H20N2O2.C12H22N2O2/c1-9(2)6-10-7-12(16)14(8-10)5-3-4-11(13)15;1-2-3-5-10-8-12(16)14(9-10)7-4-6-11(13)15/h6,10H,3-5,7-8H2,1-2H3,(H2,13,15);10H,2-9H2,1H3,(H2,13,15)
InChIKeyDODANIUIFPSFOD-UHFFFAOYSA-N
XLogP2.36
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide (CID 67365761) is 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide is CC(C)=CC1CC(=O)N(CCCC(N)=O)C1.CCCCC1CC(=O)N(CCCC(N)=O)C1.
What is the InChIKey of 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is DODANIUIFPSFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C12H22N2O2/c1-9(2)6-10-7-12(16)14(8-10)5-3-4-11(13)15;1-2-3-5-10-8-12(16)14(9-10)7-4-6-11(13)15/h6,10H,3-5,7-8H2,1-2H3,(H2,13,15);10H,2-9H2,1H3,(H2,13,15).
What are the key properties of 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide?
4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 450.62 g/mol, XLogP of 2.36, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-2-oxopyrrolidin-1-yl)butanamide;4-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 67365761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).