N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide

C13H20N2O5 — CID 59811747

IUPACN-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide
SMILESCOCCOCCC(=O)NCCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-19-9-10-20-8-5-11(16)14-6-2-7-15-12(17)3-4-13(15)18/h3-4H,2,5-10H2,1H3,(H,14,16)
InChIKeyIRJGLPRDUWCPKZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.53
Rot. Bonds10

About N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide

N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide (PubChem CID 59811747) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide
PubChem CID59811747
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide
SMILESCOCCOCCC(=O)NCCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-19-9-10-20-8-5-11(16)14-6-2-7-15-12(17)3-4-13(15)18/h3-4H,2,5-10H2,1H3,(H,14,16)
InChIKeyIRJGLPRDUWCPKZ-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-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide?
The IUPAC name of N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide (CID 59811747) is N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide is COCCOCCC(=O)NCCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide?
The InChIKey is IRJGLPRDUWCPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-9-10-20-8-5-11(16)14-6-2-7-15-12(17)3-4-13(15)18/h3-4H,2,5-10H2,1H3,(H,14,16).
What are the key properties of N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide?
N-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide 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-[3-(2,5-dioxopyrrol-1-yl)propyl]-3-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 59811747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).