2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide

C13H19N3O5 — CID 118133798

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
SMILESCOCCC(=O)NCCNC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O5/c1-9(16-11(18)3-4-12(16)19)13(20)15-7-6-14-10(17)5-8-21-2/h3-4,9H,5-8H2,1-2H3,(H,14,17)(H,15,20)
InChIKeyZRMBRICUUBMIMU-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.43
Rot. Bonds8

About 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide

2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide (PubChem CID 118133798) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
PubChem CID118133798
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
SMILESCOCCC(=O)NCCNC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O5/c1-9(16-11(18)3-4-12(16)19)13(20)15-7-6-14-10(17)5-8-21-2/h3-4,9H,5-8H2,1-2H3,(H,14,17)(H,15,20)
InChIKeyZRMBRICUUBMIMU-UHFFFAOYSA-N
XLogP-1.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.43
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 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
CID 58340890
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-ethoxypropanoylamino)ethyl]propanamide
CID 58841265
N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide
CID 59811747
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
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
CID 68210930
3-ethoxy-N-ethyl-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]propanamide
CID 71189969
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide
CID 71290844

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide (CID 118133798) is 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide is COCCC(=O)NCCNC(=O)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
The InChIKey is ZRMBRICUUBMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-9(16-11(18)3-4-12(16)19)13(20)15-7-6-14-10(17)5-8-21-2/h3-4,9H,5-8H2,1-2H3,(H,14,17)(H,15,20).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide?
2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide has a molecular weight of 297.31 g/mol, XLogP of -1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-[2-(3-methoxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 118133798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).