1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione

C18H32N2O3 — CID 70512424

IUPAC1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(CCCCCCCCCC(C)C)C1=O
InChIInChI=1S/C18H32N2O3/c1-4-20-17(22)15(16(21)19-18(20)23)13-11-9-7-5-6-8-10-12-14(2)3/h14-15H,4-13H2,1-3H3,(H,19,21,23)
InChIKeyPPCWNGNCHCMUJU-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.87
Rot. Bonds11

About 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione

1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione (PubChem CID 70512424) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione
PubChem CID70512424
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(CCCCCCCCCC(C)C)C1=O
InChIInChI=1S/C18H32N2O3/c1-4-20-17(22)15(16(21)19-18(20)23)13-11-9-7-5-6-8-10-12-14(2)3/h14-15H,4-13H2,1-3H3,(H,19,21,23)
InChIKeyPPCWNGNCHCMUJU-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione (CID 70512424) is 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione is CCN1C(=O)NC(=O)C(CCCCCCCCCC(C)C)C1=O.
What is the InChIKey of 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PPCWNGNCHCMUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-4-20-17(22)15(16(21)19-18(20)23)13-11-9-7-5-6-8-10-12-14(2)3/h14-15H,4-13H2,1-3H3,(H,19,21,23).
What are the key properties of 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione?
1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 324.47 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(10-methylundecyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70512424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).