2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one

C13H26N2O2 — CID 18760564

IUPAC2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)N(C)C(C)C(C)(CC)N1O
InChIInChI=1S/C13H26N2O2/c1-7-12(4)9-11(16)14(6)10(3)13(5,8-2)15(12)17/h10,17H,7-9H2,1-6H3
InChIKeyYOHIISRUBDXMLE-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.27
Rot. Bonds2

About 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one

2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one (PubChem CID 18760564) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one
PubChem CID18760564
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)N(C)C(C)C(C)(CC)N1O
InChIInChI=1S/C13H26N2O2/c1-7-12(4)9-11(16)14(6)10(3)13(5,8-2)15(12)17/h10,17H,7-9H2,1-6H3
InChIKeyYOHIISRUBDXMLE-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one (CID 18760564) is 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one is CCC1(C)CC(=O)N(C)C(C)C(C)(CC)N1O.
What is the InChIKey of 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one?
The InChIKey is YOHIISRUBDXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-12(4)9-11(16)14(6)10(3)13(5,8-2)15(12)17/h10,17H,7-9H2,1-6H3.
What are the key properties of 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one?
2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one has a molecular weight of 242.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 18760564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).