6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione

C11H20N2O2 — CID 547359

IUPAC6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione
SMILESCCC1(CC)C(=O)NCC(C)(C)NC1=O
InChIInChI=1S/C11H20N2O2/c1-5-11(6-2)8(14)12-7-10(3,4)13-9(11)15/h5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyFKBRUGGPHFIPRN-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.82
Rot. Bonds2

About 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione

6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione (PubChem CID 547359) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione.

Molecular Properties

Compound Name6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione
PubChem CID547359
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione
SMILESCCC1(CC)C(=O)NCC(C)(C)NC1=O
InChIInChI=1S/C11H20N2O2/c1-5-11(6-2)8(14)12-7-10(3,4)13-9(11)15/h5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyFKBRUGGPHFIPRN-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 546910
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CID 281607
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CID 122573960
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CID 165935249
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CID 91659886
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CID 80697165
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CID 81111000
CID 81111000
CID 13407137
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CID 19591339
CID 19591339

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione?
The IUPAC name of 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione (CID 547359) is 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione.
What is the SMILES notation for 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione?
The canonical SMILES for 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione is CCC1(CC)C(=O)NCC(C)(C)NC1=O.
What is the InChIKey of 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione?
The InChIKey is FKBRUGGPHFIPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-11(6-2)8(14)12-7-10(3,4)13-9(11)15/h5-7H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione?
6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione has a molecular weight of 212.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-2,2-dimethyl-1,4-diazepane-5,7-dione is sourced from PubChem (CID 547359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).