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

C13H19N3O5 — CID 134313638

IUPACN-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O5/c1-10(17)14-5-8-21-9-6-15-11(18)4-7-16-12(19)2-3-13(16)20/h2-3H,4-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyJJYINCHBQTYRRA-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.43
Rot. Bonds9

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

N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 134313638) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID134313638
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H19N3O5/c1-10(17)14-5-8-21-9-6-15-11(18)4-7-16-12(19)2-3-13(16)20/h2-3H,4-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyJJYINCHBQTYRRA-UHFFFAOYSA-N
XLogP-1.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 134313638) is N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(=O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is JJYINCHBQTYRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-10(17)14-5-8-21-9-6-15-11(18)4-7-16-12(19)2-3-13(16)20/h2-3H,4-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 297.31 g/mol, XLogP of -1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethoxy)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 134313638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).