3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide

C14H20N2O4 — CID 21299484

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide
SMILESCC(=O)C(C)CCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O4/c1-10(11(2)17)4-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeySPBYTSPBHWTYTK-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.42
Rot. Bonds8

About 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide (PubChem CID 21299484) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide
PubChem CID21299484
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide
SMILESCC(=O)C(C)CCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O4/c1-10(11(2)17)4-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeySPBYTSPBHWTYTK-UHFFFAOYSA-N
XLogP0.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide (CID 21299484) is 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide is CC(=O)C(C)CCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide?
The InChIKey is SPBYTSPBHWTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(11(2)17)4-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide has a molecular weight of 280.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide is sourced from PubChem (CID 21299484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).