N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C15H25N3O4 — CID 58519834

IUPACN-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(=O)NCCCCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C15H25N3O4/c1-11-10-14(21)18(15(11)22)9-6-13(20)17-8-5-3-4-7-16-12(2)19/h11H,3-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySDGBTKDGLSXJGO-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.19
Rot. Bonds9

About N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 58519834) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID58519834
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(=O)NCCCCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C15H25N3O4/c1-11-10-14(21)18(15(11)22)9-6-13(20)17-8-5-3-4-7-16-12(2)19/h11H,3-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySDGBTKDGLSXJGO-UHFFFAOYSA-N
XLogP0.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
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

N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(3-oxobutyl)hexanamide
CID 122596559
3-acetyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 59446018
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59757292
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
CID 167275837
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl N-ethylcarbamate
CID 167208030
N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 156791281
N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
CID 153342826
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

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 58519834) is N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC(=O)NCCCCCNC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is SDGBTKDGLSXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-11-10-14(21)18(15(11)22)9-6-13(20)17-8-5-3-4-7-16-12(2)19/h11H,3-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 311.38 g/mol, XLogP of 0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 58519834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).