1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione

C10H18N2O4 — CID 77073110

IUPAC1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCOCCOCCN1CC(C)C(=O)NC1=O
InChIInChI=1S/C10H18N2O4/c1-8-7-12(10(14)11-9(8)13)3-4-16-6-5-15-2/h8H,3-7H2,1-2H3,(H,11,13,14)
InChIKeyCKDOXZNNQFBWTL-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione

1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 77073110) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione
PubChem CID77073110
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione
SMILESCOCCOCCN1CC(C)C(=O)NC1=O
InChIInChI=1S/C10H18N2O4/c1-8-7-12(10(14)11-9(8)13)3-4-16-6-5-15-2/h8H,3-7H2,1-2H3,(H,11,13,14)
InChIKeyCKDOXZNNQFBWTL-UHFFFAOYSA-N
XLogP-0.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione (CID 77073110) is 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione is COCCOCCN1CC(C)C(=O)NC1=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is CKDOXZNNQFBWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8-7-12(10(14)11-9(8)13)3-4-16-6-5-15-2/h8H,3-7H2,1-2H3,(H,11,13,14).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione?
1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 230.26 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).