N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione

C16H23N3O5 — CID 159705065

IUPACN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione
SMILESCCCCNC(=O)CCN1C(=O)C=CC1=O.CN1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O3.C5H7NO2/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6-4(7)2-3-5(6)8/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H2,1H3
InChIKeyMYCKXMJGTINOMY-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.02
Rot. Bonds6

About N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione

N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione (PubChem CID 159705065) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound NameN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione
PubChem CID159705065
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione
SMILESCCCCNC(=O)CCN1C(=O)C=CC1=O.CN1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O3.C5H7NO2/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6-4(7)2-3-5(6)8/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H2,1H3
InChIKeyMYCKXMJGTINOMY-UHFFFAOYSA-N
XLogP-0.02
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(beta-maleimidopropionyl)succinimide
CID 129758333
1-Methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19793657
N-(3-(2-Oxopyrrolidin-1-yl)propyl)acrylamide
CID 43616623
N-[4-(2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 57552398
4-(2,5-dioxopyrrol-1-yl)-N-[3-(methylamino)propyl]butanamide
CID 57655101
4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide
CID 58493147
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylbutanamide
CID 58831003
N-butyl-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 58984233
N-(3-acetamidopropyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59112845
N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 59115278
N-acetyl-N'-[3-(2,5-dioxopyrrol-1-yl)propyl]-2-(propanoylamino)butanediamide
CID 59481976
4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide
CID 59740413

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione?
The IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione (CID 159705065) is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione?
The canonical SMILES for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione is CCCCNC(=O)CCN1C(=O)C=CC1=O.CN1C(=O)CCC1=O.
What is the InChIKey of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione?
The InChIKey is MYCKXMJGTINOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.C5H7NO2/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6-4(7)2-3-5(6)8/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H2,1H3.
What are the key properties of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione?
N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione has a molecular weight of 337.38 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 159705065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).