6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide

C15H24N2O4 — CID 122596559

IUPAC6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
SMILESCC(=O)CCNC(=O)CCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C15H24N2O4/c1-11-10-14(20)17(15(11)21)9-5-3-4-6-13(19)16-8-7-12(2)18/h11H,3-10H2,1-2H3,(H,16,19)
InChIKeyDZHATOWFSOJHPY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.04
Rot. Bonds9

About 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide (PubChem CID 122596559) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide.

Molecular Properties

Compound Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
PubChem CID122596559
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
SMILESCC(=O)CCNC(=O)CCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C15H24N2O4/c1-11-10-14(20)17(15(11)21)9-5-3-4-6-13(19)16-8-7-12(2)18/h11H,3-10H2,1-2H3,(H,16,19)
InChIKeyDZHATOWFSOJHPY-UHFFFAOYSA-N
XLogP1.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.04
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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Related Compounds

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
ethane;4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 145224395
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 163614544
3-[(2-formamidoacetyl)amino]-N-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]propanamide
CID 156543086
1-[6-(4-hydroxypiperazin-1-yl)-6-oxohexyl]-3-methylpyrrolidine-2,5-dione
CID 165403609
18-[[1-carboxy-4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 154643354

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide?
The IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide (CID 122596559) is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide.
What is the SMILES notation for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide?
The canonical SMILES for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide is CC(=O)CCNC(=O)CCCCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide?
The InChIKey is DZHATOWFSOJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-10-14(20)17(15(11)21)9-5-3-4-6-13(19)16-8-7-12(2)18/h11H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide?
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide has a molecular weight of 296.37 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide is sourced from PubChem (CID 122596559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).