N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide

C14H21N3O5 — CID 58331274

IUPACN-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-3-22-10(2)14(21)16-8-7-15-11(18)6-9-17-12(19)4-5-13(17)20/h4-5,10H,3,6-9H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyQNKOZRZTGHRSFM-UHFFFAOYSA-N
MW311.34 g/mol
LogP-1.04
Rot. Bonds9

About N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide

N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide (PubChem CID 58331274) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
PubChem CID58331274
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC NameN-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-3-22-10(2)14(21)16-8-7-15-11(18)6-9-17-12(19)4-5-13(17)20/h4-5,10H,3,6-9H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyQNKOZRZTGHRSFM-UHFFFAOYSA-N
XLogP-1.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
The IUPAC name of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide (CID 58331274) is N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
The canonical SMILES for N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
The InChIKey is QNKOZRZTGHRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-3-22-10(2)14(21)16-8-7-15-11(18)6-9-17-12(19)4-5-13(17)20/h4-5,10H,3,6-9H2,1-2H3,(H,15,18)(H,16,21).
What are the key properties of N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide?
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide has a molecular weight of 311.34 g/mol, XLogP of -1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 58331274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).