1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione

C13H22N4O4 — CID 5207807

IUPAC1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CN2CCOCC2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C13H22N4O4/c18-12-9-16(10-14-1-5-20-6-2-14)13(19)17(12)11-15-3-7-21-8-4-15/h1-11H2
InChIKeyQUTJYJMVXHINAG-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.17
Rot. Bonds4

About 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione

1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 5207807) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID5207807
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CN2CCOCC2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C13H22N4O4/c18-12-9-16(10-14-1-5-20-6-2-14)13(19)17(12)11-15-3-7-21-8-4-15/h1-11H2
InChIKeyQUTJYJMVXHINAG-UHFFFAOYSA-N
XLogP-1.17
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione (CID 5207807) is 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione is O=C1CN(CN2CCOCC2)C(=O)N1CN1CCOCC1.
What is the InChIKey of 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is QUTJYJMVXHINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c18-12-9-16(10-14-1-5-20-6-2-14)13(19)17(12)11-15-3-7-21-8-4-15/h1-11H2.
What are the key properties of 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione?
1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 298.34 g/mol, XLogP of -1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 5207807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).