2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide

C11H16N2O4 — CID 58340890

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
SMILESCCOC(C)NC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c1-4-17-8(3)12-11(16)7(2)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16)
InChIKeyKSHOTBMVVVOLQM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.20
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide

2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide (PubChem CID 58340890) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
PubChem CID58340890
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
SMILESCCOC(C)NC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c1-4-17-8(3)12-11(16)7(2)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16)
InChIKeyKSHOTBMVVVOLQM-UHFFFAOYSA-N
XLogP-0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
CID 22272296
3-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
CID 58332974
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
CID 58493132
2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
CID 58493176
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropylamino)ethyl]propanamide
CID 60126591
2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 60975184
2-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 61464858
2-(2,5-dioxopyrrol-1-yl)-N-(1-methoxyethyl)propanamide
CID 68018033
2-(2,5-dioxopyrrol-1-yl)-N-(1-hydroxy-1-methoxypropyl)propanamide
CID 68018064
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxy-1-hydroxypropyl)propanamide
CID 68018066
2-(2,5-dioxopyrrol-1-yl)-N-(1-methoxyethyl)hexanamide
CID 68259291
N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
CID 70645249

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide (CID 58340890) is 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide is CCOC(C)NC(=O)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
The InChIKey is KSHOTBMVVVOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-8(3)12-11(16)7(2)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide?
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide has a molecular weight of 240.26 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide is sourced from PubChem (CID 58340890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).