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

C19H25N3O6 — CID 157416529

IUPACN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione
SMILESCC(=O)CCN1C(=O)C=CC1=O.CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3.C8H9NO3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6(10)4-5-9-7(11)2-3-8(9)12/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H,4-5H2,1H3
InChIKeyBOXIWIHZKNYGPI-UHFFFAOYSA-N
MW391.42 g/mol
LogP0.11
Rot. Bonds9

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

N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione (PubChem CID 157416529) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione.

Molecular Properties

Compound NameN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione
PubChem CID157416529
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione
SMILESCC(=O)CCN1C(=O)C=CC1=O.CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3.C8H9NO3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6(10)4-5-9-7(11)2-3-8(9)12/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H,4-5H2,1H3
InChIKeyBOXIWIHZKNYGPI-UHFFFAOYSA-N
XLogP0.11
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 21135495
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489
3-[(2,5-Dioxopyrrol-1-yl)methyl]-4-methylpyrrole-2,5-dione
CID 21563747
3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide
CID 22961655
3-(2,5-dioxopyrrol-1-yl)-N-[6-(methylamino)hexyl]propanamide
CID 22964484
1-[6-[6-(2,5-Dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione
CID 53781516
3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-propylpropanamide
CID 54593838
1-[3-[3-(2,5-Dioxopyrrol-1-yl)propylamino]propyl]pyrrole-2,5-dione
CID 57114167
N-[4-(2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 57552398
3-(2,5-dioxopyrrol-1-yl)-N-(2-methylbutyl)propanamide
CID 57643378
4-(2,5-dioxopyrrol-1-yl)-N-[3-(methylamino)propyl]butanamide
CID 57655101

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione?
The IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione (CID 157416529) is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione.
What is the SMILES notation for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione?
The canonical SMILES for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione is CC(=O)CCN1C(=O)C=CC1=O.CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione?
The InChIKey is BOXIWIHZKNYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.C8H9NO3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;1-6(10)4-5-9-7(11)2-3-8(9)12/h4-5H,2-3,6-8H2,1H3,(H,12,14);2-3H,4-5H2,1H3.
What are the key properties of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione?
N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione has a molecular weight of 391.42 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;1-(3-oxobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 157416529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).