1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione

C13H20N2O5 — CID 176860529

IUPAC1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione
SMILESCC(C)NCCOCCOCC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-10(2)14-5-6-19-7-8-20-9-13(18)15-11(16)3-4-12(15)17/h3-4,10,14H,5-9H2,1-2H3
InChIKeyMSKVXSGRWDXSND-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.53
Rot. Bonds9

About 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione (PubChem CID 176860529) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione
PubChem CID176860529
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione
SMILESCC(C)NCCOCCOCC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O5/c1-10(2)14-5-6-19-7-8-20-9-13(18)15-11(16)3-4-12(15)17/h3-4,10,14H,5-9H2,1-2H3
InChIKeyMSKVXSGRWDXSND-UHFFFAOYSA-N
XLogP-0.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
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 ≤ 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 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione (CID 176860529) is 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione is CC(C)NCCOCCOCC(=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione?
The InChIKey is MSKVXSGRWDXSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-10(2)14-5-6-19-7-8-20-9-13(18)15-11(16)3-4-12(15)17/h3-4,10,14H,5-9H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione?
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione has a molecular weight of 284.31 g/mol, XLogP of -0.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetyl]pyrrole-2,5-dione is sourced from PubChem (CID 176860529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).