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

C13H21N3O5 — CID 90184424

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H21N3O5/c14-4-7-20-9-10-21-8-5-15-11(17)3-6-16-12(18)1-2-13(16)19/h1-2H,3-10,14H2,(H,15,17)
InChIKeyVGJOPSXCTNQTGQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP-1.59
Rot. Bonds11

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 90184424) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID90184424
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H21N3O5/c14-4-7-20-9-10-21-8-5-15-11(17)3-6-16-12(18)1-2-13(16)19/h1-2H,3-10,14H2,(H,15,17)
InChIKeyVGJOPSXCTNQTGQ-UHFFFAOYSA-N
XLogP-1.59
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 90184424) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is VGJOPSXCTNQTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c14-4-7-20-9-10-21-8-5-15-11(17)3-6-16-12(18)1-2-13(16)19/h1-2H,3-10,14H2,(H,15,17).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 299.33 g/mol, XLogP of -1.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 90184424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).