N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide

C13H20N2O5 — CID 21026682

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-19-9-10-20-8-2-3-11(16)14-6-7-15-12(17)4-5-13(15)18/h4-5H,2-3,6-10H2,1H3,(H,14,16)
InChIKeyYIILDIWIIFSIHE-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.53
Rot. Bonds10

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide (PubChem CID 21026682) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide
PubChem CID21026682
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-19-9-10-20-8-2-3-11(16)14-6-7-15-12(17)4-5-13(15)18/h4-5H,2-3,6-10H2,1H3,(H,14,16)
InChIKeyYIILDIWIIFSIHE-UHFFFAOYSA-N
XLogP-0.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
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-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide (CID 21026682) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide is COCCOCCCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide?
The InChIKey is YIILDIWIIFSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-9-10-20-8-2-3-11(16)14-6-7-15-12(17)4-5-13(15)18/h4-5H,2-3,6-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide has a molecular weight of 284.31 g/mol, XLogP of -0.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-methoxyethoxy)butanamide is sourced from PubChem (CID 21026682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).