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

C14H21N3O5 — CID 58841265

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide
SMILESCCOCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-2-22-10-6-12(19)16-8-7-15-11(18)5-9-17-13(20)3-4-14(17)21/h3-4H,2,5-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyPJKMLIHKGMLBCJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP-1.04
Rot. Bonds10

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide (PubChem CID 58841265) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide
PubChem CID58841265
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide
SMILESCCOCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21N3O5/c1-2-22-10-6-12(19)16-8-7-15-11(18)5-9-17-13(20)3-4-14(17)21/h3-4H,2,5-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyPJKMLIHKGMLBCJ-UHFFFAOYSA-N
XLogP-1.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide (CID 58841265) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide is CCOCCC(=O)NCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide?
The InChIKey is PJKMLIHKGMLBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-2-22-10-6-12(19)16-8-7-15-11(18)5-9-17-13(20)3-4-14(17)21/h3-4H,2,5-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide has a molecular weight of 311.34 g/mol, XLogP of -1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-ethoxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 58841265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).